Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester
TL;DR: Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester (CAS 59216-75-0) is a chemical compound with molecular formula C14H11Cl2NO3 and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-5-(2,4-dichlorophenoxy)benzoate
Also Known As: Bifenox metabolite, Methyl 2-amino-5-(2,4-dichlorophenoxy)benzoate, Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester, J1.844.533F, 5-(2,4-Dichlorophenoxy)anthanilic acid methyl ester
| Molecular Formula | C14H11Cl2NO3 |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0116 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 59216-75-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)N |
| InChIKey | UJNYCLXVVRNMCE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester (CAS 59216-75-0), with molecular formula C14H11Cl2NO3 and molecular weight 311.01 g/mol. IUPAC: methyl 2-amino-5-(2,4-dichlorophenoxy)benzoate.
Chemical Property Profile of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester
Property Insights of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester
The XLogP value of 4.5 indicates that Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester has 1 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 Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester?
The CAS number of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester is 59216-75-0.
What is the molecular formula of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester?
The molecular formula of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester is C14H11Cl2NO3.
What is the molecular weight of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester?
The molecular weight of Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester is 311.01 g/mol.
Where can I buy Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester?
You can request a quote for Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, 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-amino-5-(2,4-dichlorophenoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-5-(2,4-dichlorophenoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.