Octan-2-yl carbamate
TL;DR: Octan-2-yl carbamate (CAS 6650-89-1) 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.
octan-2-yl carbamate
Also Known As: octan-2-yl carbamate, Carbamidsaeure-(methyl-n-hexyl-carbin)-ester
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 6650-89-1 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)N |
| InChIKey | VIZGCWHTMUXABY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octan-2-yl carbamate (CAS 6650-89-1), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: octan-2-yl carbamate.
Chemical Property Profile of Octan-2-yl carbamate
Property Insights of Octan-2-yl carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octan-2-yl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Octan-2-yl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl carbamate 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 Octan-2-yl carbamate?
The CAS number of Octan-2-yl carbamate is 6650-89-1.
What is the molecular formula of Octan-2-yl carbamate?
The molecular formula of Octan-2-yl carbamate is C9H19NO2.
What is the molecular weight of Octan-2-yl carbamate?
The molecular weight of Octan-2-yl carbamate is 173.14 g/mol.
Where can I buy Octan-2-yl carbamate?
You can request a quote for Octan-2-yl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octan-2-yl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Octan-2-yl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.