Hexyl phenylcarbamate
TL;DR: Hexyl phenylcarbamate (CAS 7461-26-9) 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.
hexyl N-phenylcarbamate
Also Known As: hexyl N-phenylcarbamate, HEXYL PHENYLCARBAMATE, Phenylcarbamic acid hexyl ester, Carbamicacid, N-phenyl-, hexyl ester, N-Phenylcarbamic acid hexyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 4.3 |
| 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 | 7461-26-9 |
|---|---|
| SMILES | CCCCCCOC(=O)NC1=CC=CC=C1 |
| InChIKey | HNEGSWZZYCZACE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl phenylcarbamate (CAS 7461-26-9), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: hexyl N-phenylcarbamate.
Chemical Property Profile of Hexyl phenylcarbamate
Property Insights of Hexyl phenylcarbamate
The XLogP value of 4.3 indicates that Hexyl phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Hexyl phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl phenylcarbamate 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 Hexyl phenylcarbamate?
The CAS number of Hexyl phenylcarbamate is 7461-26-9.
What is the molecular formula of Hexyl phenylcarbamate?
The molecular formula of Hexyl phenylcarbamate is C13H19NO2.
What is the molecular weight of Hexyl phenylcarbamate?
The molecular weight of Hexyl phenylcarbamate is 221.14 g/mol.
Where can I buy Hexyl phenylcarbamate?
You can request a quote for Hexyl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.