Octanex Labs | CAS 1334513-02-8 | Related Intermediates | Manufacturers & Suppliers

CAS 1334513-02-8

Chemistry, 2 End Use API, 17 Related Intermediates

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Also known as: 1334513-02-8, Propan-2-yl (2s)-2-{[(s)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate, Schembl2510990, Amy4182, N-((s)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-l-alanine 1-methylethyl ester, N-[(s)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-l-alanine1-methylethylester

Molecular Formula

C₁₈H₁₇F₅NO₅P

Molecular Weight

453.3 g/mol

InChI Key

MIILDBHEJQLACD-ZJPIPACBSA-N

1 2D Structure

CAS 1334513-02-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate

2.1.2 InChI

InChI=1S/C18H17F5NO5P/c1-9(2)27-18(25)10(3)24-30(26,28-11-7-5-4-6-8-11)29-17-15(22)13(20)12(19)14(21)16(17)23/h4-10H,1-3H3,(H,24,26)/t10-,30-/m0/s1

2.1.3 InChI Key

MIILDBHEJQLACD-ZJPIPACBSA-N

2.1.4 Canonical SMILES

CC(C)OC(=O)C(C)NP(=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F

2.1.5 Isomeric SMILES

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1334513-02-8

2. Propan-2-yl (2s)-2-{[(s)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate

3. Schembl2510990

4. Amy4182

5. N-((s)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-l-alanine 1-methylethyl Ester

6. N-[(s)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-l-alanine1-methylethylester

7. Dtxsid301019342

8. Cs-b0630

9. Isopropyl ((s)-(perfluorophenoxy)(phenoxy)phosphoryl)-l-alaninate

10. Zinc95080021

11. Akos025286071

12. Propan-2-yl (2s)-2-{[(s)-

13. Pb11574

14. Pb35955

15. Hy-59121

16. Pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate

17. Propan-2-yl (2s)-2-[[(2,3,4,5,6-pentafluorophenoxy)-

18. Isopropyl N-[(s)-(pentafluorophenoxy)(phenoxy)phosphoryl]-l-alaninate

19. (s)-isopropyl 2-(((s)-(perfluorophenoxy)(phenoxy)phosphoryl)-amino)propanoate

20. L-alanine, N-[(s)-(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphinyl]-, 1-methylethyl Ester

2.3 Create Date

2011-11-07

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₇F₅NO₅P
Molecular Weight	453.3 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	453.07645045 g/mol
Monoisotopic Mass	453.07645045 g/mol
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

15186-48-8

End Use API

Sofosbuvir

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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