1-氰乙基苯基氨基甲酸酯
TL;DR: 1-氰乙基苯基氨基甲酸酯 (CAS 41608-81-5) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氰乙基苯基氨基甲酸酯
1-cyanoethyl N-phenylcarbamate
Also Known As: 1-cyanoethyl phenylcarbamate, 1-cyanoethyl N-phenylcarbamate, Phenylcarbaminsaeure-<1-cyan-aethylester>, Propanenitrile, 2-[[(phenylamino)carbonyl]oxy]-
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 41608-81-5 |
|---|---|
| SMILES | CC(C#N)OC(=O)NC1=CC=CC=C1 |
| InChIKey | GCFKEACPZZUAMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氰乙基苯基氨基甲酸酯 (CAS 41608-81-5), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 1-cyanoethyl N-phenylcarbamate.
Chemical Property Profile of 1-氰乙基苯基氨基甲酸酯
Property Insights of 1-氰乙基苯基氨基甲酸酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氰乙基苯基氨基甲酸酯. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-氰乙基苯基氨基甲酸酯. Following Lipinski's Rule of Five, 1-氰乙基苯基氨基甲酸酯 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 1-氰乙基苯基氨基甲酸酯?
The CAS number of 1-氰乙基苯基氨基甲酸酯 is 41608-81-5.
What is the molecular formula of 1-氰乙基苯基氨基甲酸酯?
The molecular formula of 1-氰乙基苯基氨基甲酸酯 is C10H10N2O2.
What is the molecular weight of 1-氰乙基苯基氨基甲酸酯?
The molecular weight of 1-氰乙基苯基氨基甲酸酯 is 190.07 g/mol.
Where can I buy 1-氰乙基苯基氨基甲酸酯?
You can request a quote for 1-氰乙基苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氰乙基苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-氰乙基苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.