(S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate
TL;DR: (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate (CAS 99281-90-0) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate
Also Known As: Boc-Phe-Nitrile, (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate, (S)-Boc-2-amino-3-phenyl-propionitrile, (S)-N-Boc-phenylalaninenitrile, tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.64598 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 429.34747 |
Chemical Identifiers
| CAS Number | 99281-90-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C#N |
Product Overview
(S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate (CAS 99281-90-0), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate.
Chemical Property Profile of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate
Property Insights of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate
The XLogP value of 2.64598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate?
The CAS number of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate is 99281-90-0.
What is the molecular formula of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate is C14H18N2O2.
What is the molecular weight of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate is 246.14 g/mol.
Where can I buy (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.