tert-butyl cyano(phenyl)methylcarbamate
TL;DR: tert-butyl cyano(phenyl)methylcarbamate (CAS 177723-19-2) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(S)-cyano(phenyl)methyl]carbamate
Also Known As: tert-butyl cyano(phenyl)methylcarbamate, tert-butyl N-[(S)-cyano(phenyl)methyl]carbamate, (2S)-tert-Butoxycarbonylaminophenylacetonitrile, N-tert-butyloxycarbonyl phenylglycine nitrile, J1.206.737B
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.77598 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 415.28586 |
Chemical Identifiers
| CAS Number | 177723-19-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](C#N)C1=CC=CC=C1 |
Product Overview
tert-butyl cyano(phenyl)methylcarbamate (CAS 177723-19-2), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: tert-butyl N-[(S)-cyano(phenyl)methyl]carbamate.
Chemical Property Profile of tert-butyl cyano(phenyl)methylcarbamate
Property Insights of tert-butyl cyano(phenyl)methylcarbamate
The XLogP value of 2.77598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl cyano(phenyl)methylcarbamate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl cyano(phenyl)methylcarbamate. Following Lipinski's Rule of Five, tert-butyl cyano(phenyl)methylcarbamate 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 tert-butyl cyano(phenyl)methylcarbamate?
The CAS number of tert-butyl cyano(phenyl)methylcarbamate is 177723-19-2.
What is the molecular formula of tert-butyl cyano(phenyl)methylcarbamate?
The molecular formula of tert-butyl cyano(phenyl)methylcarbamate is C13H16N2O2.
What is the molecular weight of tert-butyl cyano(phenyl)methylcarbamate?
The molecular weight of tert-butyl cyano(phenyl)methylcarbamate is 232.12 g/mol.
Where can I buy tert-butyl cyano(phenyl)methylcarbamate?
You can request a quote for tert-butyl cyano(phenyl)methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl cyano(phenyl)methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl cyano(phenyl)methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.