Octanex Labs | CAS 156474-21-4 | Related Intermediates | Manufacturers & Suppliers

CAS 156474-21-4

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 98818-34-9, 156474-21-4, Tert-butyl ((r)-1-((r)-oxiran-2-yl)-2-phenylethyl)carbamate, Tert-butyl n-[(1r)-1-[(2r)-oxiran-2-yl]-2-phenylethyl]carbamate, Schembl496136, Tert-butyl((r)-1-((r)-oxiran-2-yl)-2-phenylethyl)carbamate

Molecular Formula

C₁₅H₂₁NO₃

Molecular Weight

263.33 g/mol

InChI Key

NVPOUMXZERMIJK-OLZOCXBDSA-N

1 2D Structure

CAS 156474-21-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate

2.1.2 InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m1/s1

2.1.3 InChI Key

NVPOUMXZERMIJK-OLZOCXBDSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)[C@@H]2CO2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98818-34-9

2. 156474-21-4

3. Tert-butyl ((r)-1-((r)-oxiran-2-yl)-2-phenylethyl)carbamate

4. Tert-butyl N-[(1r)-1-[(2r)-oxiran-2-yl]-2-phenylethyl]carbamate

5. Schembl496136

6. Tert-butyl((r)-1-((r)-oxiran-2-yl)-2-phenylethyl)carbamate

7. Zinc4977926

8. Mfcd08061627

9. Akos016843906

10. Ac-29006

11. Ac-30256

12. Ps-12900

13. (2r,3r)-1,2-epoxy-(boc Amino)-4-phenylbutane

14. (r,r) 1-oxiranyl-2-phenylethylcarbamic Acid Tert-butyl Ester

15. [(1r)-1-{(2r)-oxiran-2-yl}-2-phenyl-ethyl]carbamic Acid Tert-butylester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₃
Molecular Weight	263.33 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	263.15214353 g/mol
Monoisotopic Mass	263.15214353 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	305
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

198904-85-7

End Use API

Atazanavir

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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