Carbamic acid, (4-cyanophenyl)-, methyl ester
TL;DR: Carbamic acid, (4-cyanophenyl)-, methyl ester (CAS 94563-11-8) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-cyanophenyl)carbamate
Also Known As: Methyl N-(4-cyanophenyl)carbamate, Methyl (4-cyanophenyl)carbamate, (4-Cyanophenyl)carbamic acid methyl ester, 4-Cyanophenylcarbamic acid methyl ester, Carbamic acid, (4-cyanophenyl)-, methyl ester
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.73658 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 337.6275 |
Chemical Identifiers
| CAS Number | 94563-11-8 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)C#N |
Product Overview
Carbamic acid, (4-cyanophenyl)-, methyl ester (CAS 94563-11-8), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: methyl N-(4-cyanophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (4-cyanophenyl)-, methyl ester
Property Insights of Carbamic acid, (4-cyanophenyl)-, methyl ester
The XLogP value of 1.73658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-cyanophenyl)-, methyl ester. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-cyanophenyl)-, methyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-cyanophenyl)-, methyl 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 Carbamic acid, (4-cyanophenyl)-, methyl ester?
The CAS number of Carbamic acid, (4-cyanophenyl)-, methyl ester is 94563-11-8.
What is the molecular formula of Carbamic acid, (4-cyanophenyl)-, methyl ester?
The molecular formula of Carbamic acid, (4-cyanophenyl)-, methyl ester is C9H8N2O2.
What is the molecular weight of Carbamic acid, (4-cyanophenyl)-, methyl ester?
The molecular weight of Carbamic acid, (4-cyanophenyl)-, methyl ester is 176.06 g/mol.
Where can I buy Carbamic acid, (4-cyanophenyl)-, methyl ester?
You can request a quote for Carbamic acid, (4-cyanophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (4-cyanophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-cyanophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.