(Cyano-phenyl-methyl)-carbamic acid tert-butyl ester
TL;DR: (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester (CAS 951893-67-7) 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-[cyano(phenyl)methyl]carbamate
Also Known As: tert-butyl N-[cyano(phenyl)methyl]carbamate, tert-Butyl (cyano(phenyl)methyl)carbamate, (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester, tert-butyl cyano(phenyl)methylcarbamate, tert-Butyl(cyano(phenyl)methyl)carbamate
| 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 | 951893-67-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C#N)C1=CC=CC=C1 |
Product Overview
(Cyano-phenyl-methyl)-carbamic acid tert-butyl ester (CAS 951893-67-7), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: tert-butyl N-[cyano(phenyl)methyl]carbamate.
Chemical Property Profile of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester
Property Insights of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester
The XLogP value of 2.77598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester 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 (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester?
The CAS number of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester is 951893-67-7.
What is the molecular formula of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester?
The molecular formula of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester is C13H16N2O2.
What is the molecular weight of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester?
The molecular weight of (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester is 232.12 g/mol.
Where can I buy (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester?
You can request a quote for (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (Cyano-phenyl-methyl)-carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.