Carbamic acid, N-butyl-, ethyl ester
TL;DR: Carbamic acid, N-butyl-, ethyl ester (CAS 591-62-8) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-butylcarbamate
Also Known As: Ethyl butylcarbamate, N-Butylurethane, Butylurethane, Butyl urethane, 1-Butylurethane
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 591-62-8 |
|---|---|
| SMILES | CCCCNC(=O)OCC |
| InChIKey | BQBKYSPXQYHTIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, N-butyl-, ethyl ester (CAS 591-62-8), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: ethyl N-butylcarbamate.
Chemical Property Profile of Carbamic acid, N-butyl-, ethyl ester
Property Insights of Carbamic acid, N-butyl-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-butyl-, ethyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, N-butyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-butyl-, ethyl ester has 1 hydrogen bond donor(s) and 2 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-butyl-, ethyl ester?
The CAS number of Carbamic acid, N-butyl-, ethyl ester is 591-62-8.
What is the molecular formula of Carbamic acid, N-butyl-, ethyl ester?
The molecular formula of Carbamic acid, N-butyl-, ethyl ester is C7H15NO2.
What is the molecular weight of Carbamic acid, N-butyl-, ethyl ester?
The molecular weight of Carbamic acid, N-butyl-, ethyl ester is 145.11 g/mol.
Where can I buy Carbamic acid, N-butyl-, ethyl ester?
You can request a quote for Carbamic acid, N-butyl-, 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-butyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-butyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.