Einecs 261-853-4
TL;DR: Einecs 261-853-4 (CAS 59673-82-4) is a chemical compound with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-[(2,5-dichlorobenzoyl)amino]benzoate
Also Known As: EC 261-853-4, Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate, methyl 2-amino-4-[(2,5-dichlorobenzoyl)amino]benzoate, Benzoic acid, 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)-, methyl ester, EINECS 261-853-4
| Molecular Formula | C15H12Cl2N2O3 |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0225 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 59673-82-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)N |
| InChIKey | PDWBHZYCNIOXCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Einecs 261-853-4 (CAS 59673-82-4), with molecular formula C15H12Cl2N2O3 and molecular weight 338.02 g/mol. IUPAC: methyl 2-amino-4-[(2,5-dichlorobenzoyl)amino]benzoate.
Chemical Property Profile of Einecs 261-853-4
Property Insights of Einecs 261-853-4
The XLogP value of 3.7 indicates that Einecs 261-853-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 261-853-4. Following Lipinski's Rule of Five, Einecs 261-853-4 has 2 hydrogen bond donor(s) and 4 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 Einecs 261-853-4?
The CAS number of Einecs 261-853-4 is 59673-82-4.
What is the molecular formula of Einecs 261-853-4?
The molecular formula of Einecs 261-853-4 is C15H12Cl2N2O3.
What is the molecular weight of Einecs 261-853-4?
The molecular weight of Einecs 261-853-4 is 338.02 g/mol.
Where can I buy Einecs 261-853-4?
You can request a quote for Einecs 261-853-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-853-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-853-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.