Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester
TL;DR: Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester (CAS 29098-18-8) is a chemical compound with molecular formula C22H17Cl2NO4 and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoyloxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
Also Known As: Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester, (Benzoyloxy)methyl 2-((2,6-dichloro-3-methylphenyl)amino)benzoate, benzoyloxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate, (Benzoyloxy)methyl 2-(2,6-dichloro-3-methylanilino)benzoate, BRN 2918386
| Molecular Formula | C22H17Cl2NO4 |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.05347 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 29098-18-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OCOC(=O)C3=CC=CC=C3)Cl |
| InChIKey | KPFDMTFAGBYTOJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester (CAS 29098-18-8), with molecular formula C22H17Cl2NO4 and molecular weight 429.05 g/mol. IUPAC: benzoyloxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate.
Chemical Property Profile of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester
Property Insights of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester
The XLogP value of 7.1 indicates that Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester?
The CAS number of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester is 29098-18-8.
What is the molecular formula of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester?
The molecular formula of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester is C22H17Cl2NO4.
What is the molecular weight of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester?
The molecular weight of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester is 429.05 g/mol.
Where can I buy Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester?
You can request a quote for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, (benzoyloxy)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.