4-(((Phenylamino)carbonyl)oxy)benzonitrile
TL;DR: 4-(((Phenylamino)carbonyl)oxy)benzonitrile (CAS 37070-85-2) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) N-phenylcarbamate
Also Known As: 4-cyanophenyl N-phenylcarbamate, 4-CYANOPHENYL PHENYLCARBAMATE, (4-cyanophenyl) N-phenylcarbamate, 4-(((PHENYLAMINO)CARBONYL)OXY)BENZONITRILE, 4-[(Phenylcarbamoyl)oxy]benzonitrile
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 37070-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | HCNDKZNEGZASFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((Phenylamino)carbonyl)oxy)benzonitrile (CAS 37070-85-2), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: (4-cyanophenyl) N-phenylcarbamate.
Chemical Property Profile of 4-(((Phenylamino)carbonyl)oxy)benzonitrile
Property Insights of 4-(((Phenylamino)carbonyl)oxy)benzonitrile
The XLogP value of 3.0 indicates that 4-(((Phenylamino)carbonyl)oxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((Phenylamino)carbonyl)oxy)benzonitrile. Following Lipinski's Rule of Five, 4-(((Phenylamino)carbonyl)oxy)benzonitrile 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-(((Phenylamino)carbonyl)oxy)benzonitrile?
The CAS number of 4-(((Phenylamino)carbonyl)oxy)benzonitrile is 37070-85-2.
What is the molecular formula of 4-(((Phenylamino)carbonyl)oxy)benzonitrile?
The molecular formula of 4-(((Phenylamino)carbonyl)oxy)benzonitrile is C14H10N2O2.
What is the molecular weight of 4-(((Phenylamino)carbonyl)oxy)benzonitrile?
The molecular weight of 4-(((Phenylamino)carbonyl)oxy)benzonitrile is 238.07 g/mol.
Where can I buy 4-(((Phenylamino)carbonyl)oxy)benzonitrile?
You can request a quote for 4-(((Phenylamino)carbonyl)oxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((Phenylamino)carbonyl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((Phenylamino)carbonyl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.