Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate
TL;DR: Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate (CAS 328258-97-5) is a chemical compound with molecular formula C17H13ClN2O7 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: 1,3-dimethyl 5-(2-chloro-5-nitrobenzamido)benzene-1,3-dicarboxylate, Dimethyl 5-(2-chloro-5-nitrobenzamido)isophthalate, METHYL 3-((2-CHLORO-5-NITROPHENYL)CARBONYLAMINO)-5-(METHOXYCARBONYL)BENZOATE, dimethyl 5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-[(2-chloro-5-nitrobenzoyl)amino]isophthalate
| Molecular Formula | C17H13ClN2O7 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.0737 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.04114 |
| Heavy Atoms | 27 |
| Complexity | 908.6243 |
Chemical Identifiers
| CAS Number | 328258-97-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OC |
Product Overview
Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate (CAS 328258-97-5), with molecular formula C17H13ClN2O7 and molecular weight 392.04 g/mol. IUPAC: dimethyl 5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate
Property Insights of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate
The XLogP value of 3.0737 indicates that Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate has 1 hydrogen bond donor(s) and 7 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 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate?
The CAS number of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate is 328258-97-5.
What is the molecular formula of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate is C17H13ClN2O7.
What is the molecular weight of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate is 392.04 g/mol.
Where can I buy Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(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 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((2-chloro-5-nitrophenyl)carbonylamino)-5-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.