9E-314S
TL;DR: 9E-314S (CAS 338977-31-4) is a chemical compound with molecular formula C21H16Cl2N2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
Also Known As: 9E-314S, methyl 2-({[5-chloro-1-(3-chlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbonyl}amino)benzenecarboxylate, methyl 2-[[5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate, methyl 2-{5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate, Methyl 2-[[5-chloro-1-[(3-chlorophenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]benzoate
| Molecular Formula | C21H16Cl2N2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.2423 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0487 |
| Heavy Atoms | 29 |
| Complexity | 1141.5201 |
Chemical Identifiers
| CAS Number | 338977-31-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C(=C2)Cl)CC3=CC(=CC=C3)Cl |
Product Overview
9E-314S (CAS 338977-31-4), with molecular formula C21H16Cl2N2O4 and molecular weight 430.05 g/mol. IUPAC: methyl 2-[[5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate.
Chemical Property Profile of 9E-314S
Property Insights of 9E-314S
The XLogP value of 4.2423 indicates that 9E-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9E-314S. Following Lipinski's Rule of Five, 9E-314S has 1 hydrogen bond donor(s) and 4 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 9E-314S?
The CAS number of 9E-314S is 338977-31-4.
What is the molecular formula of 9E-314S?
The molecular formula of 9E-314S is C21H16Cl2N2O4.
What is the molecular weight of 9E-314S?
The molecular weight of 9E-314S is 430.05 g/mol.
Where can I buy 9E-314S?
You can request a quote for 9E-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-314S?
Yes, KEHONG BIO provides custom synthesis services for 9E-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.