己基氨基甲酸酯
TL;DR: 己基氨基甲酸酯 (CAS 2114-20-7) 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.
己基氨基甲酸酯
hexyl carbamate
Also Known As: Hexyl carbamate, Carbamic acid, hexyl ester, hexylcarbamate, Hexly carbamate, n-hexyl carbamate
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 2114-20-7 |
|---|---|
| SMILES | CCCCCCOC(=O)N |
| InChIKey | ROASJEHPZNKHOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己基氨基甲酸酯 (CAS 2114-20-7), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: hexyl carbamate.
Chemical Property Profile of 己基氨基甲酸酯
Property Insights of 己基氨基甲酸酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 己基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己基氨基甲酸酯 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 己基氨基甲酸酯?
The CAS number of 己基氨基甲酸酯 is 2114-20-7.
What is the molecular formula of 己基氨基甲酸酯?
The molecular formula of 己基氨基甲酸酯 is C7H15NO2.
What is the molecular weight of 己基氨基甲酸酯?
The molecular weight of 己基氨基甲酸酯 is 145.11 g/mol.
Where can I buy 己基氨基甲酸酯?
You can request a quote for 己基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 己基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.