Octyl phenylcarbamate
TL;DR: Octyl phenylcarbamate (CAS 67828-33-5) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl N-phenylcarbamate
Also Known As: Octyl phenylcarbamate, octyl N-phenylcarbamate, Octyl phenylcarbamate #, Carbanilic acid, n-octyl ester, Carbanilsaeure-n-octylester
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 67828-33-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)NC1=CC=CC=C1 |
| InChIKey | PPGXIFWHXQZPKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl phenylcarbamate (CAS 67828-33-5), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: octyl N-phenylcarbamate.
Chemical Property Profile of Octyl phenylcarbamate
Property Insights of Octyl phenylcarbamate
The XLogP value of 5.4 indicates that Octyl 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, Octyl phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl phenylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl phenylcarbamate?
The CAS number of Octyl phenylcarbamate is 67828-33-5.
What is the molecular formula of Octyl phenylcarbamate?
The molecular formula of Octyl phenylcarbamate is C15H23NO2.
What is the molecular weight of Octyl phenylcarbamate?
The molecular weight of Octyl phenylcarbamate is 249.17 g/mol.
Where can I buy Octyl phenylcarbamate?
You can request a quote for Octyl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Octyl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.