己基氨基甲酸苯酯
TL;DR: 己基氨基甲酸苯酯 (CAS 85966-69-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己基氨基甲酸苯酯
phenyl N-hexylcarbamate
Also Known As: phenyl hexylcarbamate, phenyl N-hexylcarbamate, Carbamic acid, hexyl-, phenyl ester, RefChem:332460
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 85966-69-4 |
|---|---|
| SMILES | CCCCCCNC(=O)OC1=CC=CC=C1 |
| InChIKey | CQDINDKOWTXMOH-UHFFFAOYSA-N |
Product Overview
己基氨基甲酸苯酯 (CAS 85966-69-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: phenyl N-hexylcarbamate.
Chemical Property Profile of 己基氨基甲酸苯酯
Property Insights of 己基氨基甲酸苯酯
The XLogP value of 3.8 indicates that 己基氨基甲酸苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 己基氨基甲酸苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己基氨基甲酸苯酯 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 己基氨基甲酸苯酯?
The CAS number of 己基氨基甲酸苯酯 is 85966-69-4.
What is the molecular formula of 己基氨基甲酸苯酯?
The molecular formula of 己基氨基甲酸苯酯 is C13H19NO2.
What is the molecular weight of 己基氨基甲酸苯酯?
The molecular weight of 己基氨基甲酸苯酯 is 221.14 g/mol.
Where can I buy 己基氨基甲酸苯酯?
You can request a quote for 己基氨基甲酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基氨基甲酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 己基氨基甲酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.