4-(((甲氨基)羰基)氧基)苯甲腈
TL;DR: 4-(((甲氨基)羰基)氧基)苯甲腈 (CAS 18315-52-1) 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.
4-(((甲氨基)羰基)氧基)苯甲腈
(4-cyanophenyl) N-methylcarbamate
Also Known As: 4-cyanophenyl methylcarbamate, (4-cyanophenyl) N-methylcarbamate, 4-cyanophenyl N-methylcarbamate, 4-(((Methylamino)carbonyl)oxy)benzonitrile, Benzonitrile, 4-(((methylamino)carbonyl)oxy)-
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 18315-52-1 |
|---|---|
| SMILES | CNC(=O)OC1=CC=C(C=C1)C#N |
| InChIKey | AWTZJNWJJBRAQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((甲氨基)羰基)氧基)苯甲腈 (CAS 18315-52-1), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: (4-cyanophenyl) N-methylcarbamate.
Chemical Property Profile of 4-(((甲氨基)羰基)氧基)苯甲腈
Property Insights of 4-(((甲氨基)羰基)氧基)苯甲腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((甲氨基)羰基)氧基)苯甲腈. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((甲氨基)羰基)氧基)苯甲腈. Following Lipinski's Rule of Five, 4-(((甲氨基)羰基)氧基)苯甲腈 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 4-(((甲氨基)羰基)氧基)苯甲腈?
The CAS number of 4-(((甲氨基)羰基)氧基)苯甲腈 is 18315-52-1.
What is the molecular formula of 4-(((甲氨基)羰基)氧基)苯甲腈?
The molecular formula of 4-(((甲氨基)羰基)氧基)苯甲腈 is C9H8N2O2.
What is the molecular weight of 4-(((甲氨基)羰基)氧基)苯甲腈?
The molecular weight of 4-(((甲氨基)羰基)氧基)苯甲腈 is 176.06 g/mol.
Where can I buy 4-(((甲氨基)羰基)氧基)苯甲腈?
You can request a quote for 4-(((甲氨基)羰基)氧基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((甲氨基)羰基)氧基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(((甲氨基)羰基)氧基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.