methyl 2-chloropyridine-3-carboxylate structure](/static/products/4385/438595-62-1.webp)
[(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
TL;DR: [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate (CAS 438595-62-1) is a chemical compound with molecular formula C20H13Cl2N3O5 and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
Also Known As: AB00713739-01, [(2-chloro-4-nitro-phenyl)carbamoyl-phenyl-methyl] 2-chloropyridine-3-carboxylate, [(2-chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate, [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C20H13Cl2N3O5 |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 4.8334 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.02322 |
| Heavy Atoms | 30 |
| Complexity | 1108.6058 |
Chemical Identifiers
| CAS Number | 438595-62-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
[(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate (CAS 438595-62-1), with molecular formula C20H13Cl2N3O5 and molecular weight 445.02 g/mol. IUPAC: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
Property Insights of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
The XLogP value of 4.8334 indicates that [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The CAS number of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is 438595-62-1.
What is the molecular formula of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is C20H13Cl2N3O5.
What is the molecular weight of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is 445.02 g/mol.
Where can I buy [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Chloro-4-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.