Ethyl hexylcarbamate
TL;DR: Ethyl hexylcarbamate (CAS 7451-47-0) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-hexylcarbamate
Also Known As: Ethyl hexylcarbamate, ethyl N-hexylcarbamate, n-Hexylurethan, Hexylcarbamic acid ethyl ester, N-Hexylcarbamic acid ethyl ester
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 7451-47-0 |
|---|---|
| SMILES | CCCCCCNC(=O)OCC |
| InChIKey | CTEPBUFYCZLELZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl hexylcarbamate (CAS 7451-47-0), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: ethyl N-hexylcarbamate.
Chemical Property Profile of Ethyl hexylcarbamate
Property Insights of Ethyl hexylcarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hexylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl hexylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hexylcarbamate 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 Ethyl hexylcarbamate?
The CAS number of Ethyl hexylcarbamate is 7451-47-0.
What is the molecular formula of Ethyl hexylcarbamate?
The molecular formula of Ethyl hexylcarbamate is C9H19NO2.
What is the molecular weight of Ethyl hexylcarbamate?
The molecular weight of Ethyl hexylcarbamate is 173.14 g/mol.
Where can I buy Ethyl hexylcarbamate?
You can request a quote for Ethyl hexylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hexylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hexylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.