Carbanilic acid, n-heptyl ester
TL;DR: Carbanilic acid, n-heptyl ester (CAS 109562-39-2) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl N-phenylcarbamate
Also Known As: heptyl N-phenylcarbamate, Heptyl phenylcarbamate, Carbanilic acid, n-heptyl ester, Heptyl phenylcarbamate #, Carbanilsaeure-n-heptylester
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 109562-39-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)NC1=CC=CC=C1 |
| InChIKey | OJXUXLGVKNOXFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbanilic acid, n-heptyl ester (CAS 109562-39-2), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: heptyl N-phenylcarbamate.
Chemical Property Profile of Carbanilic acid, n-heptyl ester
Property Insights of Carbanilic acid, n-heptyl ester
The XLogP value of 4.9 indicates that Carbanilic acid, n-heptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbanilic acid, n-heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, n-heptyl ester 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 Carbanilic acid, n-heptyl ester?
The CAS number of Carbanilic acid, n-heptyl ester is 109562-39-2.
What is the molecular formula of Carbanilic acid, n-heptyl ester?
The molecular formula of Carbanilic acid, n-heptyl ester is C14H21NO2.
What is the molecular weight of Carbanilic acid, n-heptyl ester?
The molecular weight of Carbanilic acid, n-heptyl ester is 235.16 g/mol.
Where can I buy Carbanilic acid, n-heptyl ester?
You can request a quote for Carbanilic acid, n-heptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, n-heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, n-heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.