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Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate
TL;DR: Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate (CAS 405147-22-0) is a chemical compound with molecular formula C17H13Cl2NO5 and molecular weight 381.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2,5-dichlorobenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2,5-dichlorobenzamido)isophthalate, AB00095161-01, dimethyl 5-[(2,5-dichlorobenzoyl)amino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-(2,5-DICHLOROBENZAMIDO)BENZENE-1,3-DICARBOXYLATE, dimethyl 5-{[(2,5-dichlorophenyl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C17H13Cl2NO5 |
|---|---|
| Molecular Weight | 381.02 g/mol |
| LogP | 3.8189 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.0171 |
| Heavy Atoms | 25 |
| Complexity | 816.677 |
Chemical Identifiers
| CAS Number | 405147-22-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)OC |
Product Overview
Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate (CAS 405147-22-0), with molecular formula C17H13Cl2NO5 and molecular weight 381.02 g/mol. IUPAC: dimethyl 5-[(2,5-dichlorobenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate
Property Insights of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate
The XLogP value of 3.8189 indicates that Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate has 1 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 Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate?
The CAS number of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate is 405147-22-0.
What is the molecular formula of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate is C17H13Cl2NO5.
What is the molecular weight of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate is 381.02 g/mol.
Where can I buy Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-[(2,5-dichlorophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.