Carbamic acid, octyl ester
TL;DR: Carbamic acid, octyl ester (CAS 2029-64-3) 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.
octyl carbamate
Also Known As: Octyl carbamate, n-octyl carbamate, octylcarbamate, O-octyl carbamate, USAF EL-102
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 2029-64-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)N |
| InChIKey | YPNZTHVEMNUDND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, octyl ester (CAS 2029-64-3), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: octyl carbamate.
Chemical Property Profile of Carbamic acid, octyl ester
Property Insights of Carbamic acid, octyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, octyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Carbamic acid, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, octyl 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, octyl ester?
The CAS number of Carbamic acid, octyl ester is 2029-64-3.
What is the molecular formula of Carbamic acid, octyl ester?
The molecular formula of Carbamic acid, octyl ester is C9H19NO2.
What is the molecular weight of Carbamic acid, octyl ester?
The molecular weight of Carbamic acid, octyl ester is 173.14 g/mol.
Where can I buy Carbamic acid, octyl ester?
You can request a quote for Carbamic acid, octyl 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, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.