Hiray Pharma Solutions

CAS 1354823-36-1

Chemistry, 3 End Use API, 21 Related Intermediates

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Also known as: 1354823-36-1, (s)-2-ethylbutyl 2-(((s)-(4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate, L-alanine,n-[(s)-(4-nitrophenoxy)phenoxyphosphinyl]-, 2-ethylbutyl ester, 2-ethylbutyl ((4-nitrophenoxy)(phenoxy)phosphoryl)-l-alaninate, Mfcd32670644, N-[(s)-(4-nitrophenoxy)phenoxyphosphinyl]-l-alanine 2-ethylbutyl ester

Molecular Formula

C₂₁H₂₇N₂O₇P

Molecular Weight

450.4 g/mol

InChI Key

CSURKLFFMMBEFL-YDIHDLSKSA-N

1 2D Structure

CAS 1354823-36-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethylbutyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate

2.1.2 InChI

InChI=1S/C21H27N2O7P/c1-4-17(5-2)15-28-21(24)16(3)22-31(27,29-19-9-7-6-8-10-19)30-20-13-11-18(12-14-20)23(25)26/h6-14,16-17H,4-5,15H2,1-3H3,(H,22,27)/t16-,31?/m0/s1

2.1.3 InChI Key

CSURKLFFMMBEFL-YDIHDLSKSA-N

2.1.4 Canonical SMILES

CCC(CC)COC(=O)C(C)NP(=O)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

2.1.5 Isomeric SMILES

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1354823-36-1

2. (s)-2-ethylbutyl 2-(((s)-(4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate

3. L-alanine,n-[(s)-(4-nitrophenoxy)phenoxyphosphinyl]-, 2-ethylbutyl Ester

4. 2-ethylbutyl ((4-nitrophenoxy)(phenoxy)phosphoryl)-l-alaninate

5. Mfcd32670644

6. N-[(s)-(4-nitrophenoxy)phenoxyphosphinyl]-l-alanine 2-ethylbutyl Ester

7. Schembl14989469

8. C91697

9. A934913

2.3 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₇N₂O₇P
Molecular Weight	450.4 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	450.15558820 g/mol
Monoisotopic Mass	450.15558820 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

159326-68-8

End Use API

Remdesivir

About the Company

Hiray Pharma Solutions is an international end-to-end CDMO, facilitating the development and manufacturin...

Hiray Pharma Solutions is an international end-to-end CDMO, facilitating the development and manufacturing of important drug products and key intermediates around the world. We provide the best chemical techniques, control, and manufacturing services to pharmaceutical and innovative enterprises, and a swift path for fine medicine to benefit patients. As an end-to-end CDMO, Hiray can provide on-time, high-quality service for Process R&D, Analytical R&D, Manufacturing, and Quality Control. Hiray operates in strict compliance with, or exceeds, the latest standards for safety, health, and the environment.

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