Carbamic acid, N-(cyanomethyl)-, ethyl ester
TL;DR: Carbamic acid, N-(cyanomethyl)-, ethyl ester (CAS 13756-48-4) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(cyanomethyl)carbamate
Also Known As: Ethyl (cyanomethyl)carbamate, ethyl N-(cyanomethyl)carbamate, Ethyl cyanomethylcarbamate, ethyl N-cyanomethylcarbamate, ethyl(cyanomethyl)carbamate
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 13756-48-4 |
|---|---|
| SMILES | CCOC(=O)NCC#N |
| InChIKey | AHGQESFVDCNOGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, N-(cyanomethyl)-, ethyl ester (CAS 13756-48-4), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: ethyl N-(cyanomethyl)carbamate.
Chemical Property Profile of Carbamic acid, N-(cyanomethyl)-, ethyl ester
Property Insights of Carbamic acid, N-(cyanomethyl)-, ethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-(cyanomethyl)-, ethyl ester. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(cyanomethyl)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-(cyanomethyl)-, ethyl 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, N-(cyanomethyl)-, ethyl ester?
The CAS number of Carbamic acid, N-(cyanomethyl)-, ethyl ester is 13756-48-4.
What is the molecular formula of Carbamic acid, N-(cyanomethyl)-, ethyl ester?
The molecular formula of Carbamic acid, N-(cyanomethyl)-, ethyl ester is C5H8N2O2.
What is the molecular weight of Carbamic acid, N-(cyanomethyl)-, ethyl ester?
The molecular weight of Carbamic acid, N-(cyanomethyl)-, ethyl ester is 128.06 g/mol.
Where can I buy Carbamic acid, N-(cyanomethyl)-, ethyl ester?
You can request a quote for Carbamic acid, N-(cyanomethyl)-, ethyl 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, N-(cyanomethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(cyanomethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.