methyl 2-chloropyridine-3-carboxylate structure](/static/products/7289/728929-01-9.webp)
[(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
TL;DR: [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate (CAS 728929-01-9) is a chemical compound with molecular formula C21H16ClN3O5 and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
Also Known As: AB00718541-01, [(4-methyl-2-nitro-phenyl)carbamoyl-phenyl-methyl] 2-chloropyridine-3-carboxylate, [(4-methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate, [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C21H16ClN3O5 |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 4.48842 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.07785 |
| Heavy Atoms | 30 |
| Complexity | 1104.8058 |
Chemical Identifiers
| CAS Number | 728929-01-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl)[N+](=O)[O-] |
Product Overview
[(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate (CAS 728929-01-9), with molecular formula C21H16ClN3O5 and molecular weight 425.08 g/mol. IUPAC: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
Property Insights of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate
The XLogP value of 4.48842 indicates that [(4-Methyl-2-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 [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(4-Methyl-2-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 [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The CAS number of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is 728929-01-9.
What is the molecular formula of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is C21H16ClN3O5.
What is the molecular weight of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate is 425.08 g/mol.
Where can I buy [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [(4-Methyl-2-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 [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.