Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate
TL;DR: Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate (CAS 314284-34-9) 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-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: BAS 00624199, dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate, dimethyl 5-[(2-chloro-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-[(2-CHLORO-4-NITROBENZOYL)AMINO]ISOPHTHALATE, 5-(2-Chloro-4-nitro-benzoylamino)-isophthalic acid dimethyl ester
| 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 | 314284-34-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC |
Product Overview
Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate (CAS 314284-34-9), with molecular formula C17H13ClN2O7 and molecular weight 392.04 g/mol. IUPAC: dimethyl 5-[(2-chloro-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate
Property Insights of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate
The XLogP value of 3.0737 indicates that Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate 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 Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate 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 Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate?
The CAS number of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate is 314284-34-9.
What is the molecular formula of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate?
The molecular formula of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate is C17H13ClN2O7.
What is the molecular weight of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate?
The molecular weight of Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate is 392.04 g/mol.
Where can I buy Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate?
You can request a quote for Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({2-chloro-4-nitrobenzoyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.