Benzoximate
TL;DR: Benzoximate (CAS 29104-30-1) is a chemical compound with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate
Also Known As: Benzoximate, Benzoxamate, Benzomate, Azomate, Acarmate
| Molecular Formula | C18H18ClNO5 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.08734 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 29104-30-1 |
|---|---|
| SMILES | CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2 |
| InChIKey | HOERQTQCTISLFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoximate (CAS 29104-30-1), with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol. IUPAC: [(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate.
Chemical Property Profile of Benzoximate
Property Insights of Benzoximate
The XLogP value of 4.1 indicates that Benzoximate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoximate. Following Lipinski's Rule of Five, Benzoximate has 0 hydrogen bond donor(s) and 5 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 Benzoximate?
The CAS number of Benzoximate is 29104-30-1.
What is the molecular formula of Benzoximate?
The molecular formula of Benzoximate is C18H18ClNO5.
What is the molecular weight of Benzoximate?
The molecular weight of Benzoximate is 363.09 g/mol.
Where can I buy Benzoximate?
You can request a quote for Benzoximate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoximate?
Yes, KEHONG BIO provides custom synthesis services for Benzoximate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.