ChemDiv1_021780
TL;DR: ChemDiv1_021780 (CAS 312696-85-8) is a chemical compound with molecular formula C21H19Cl2NO3 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ChemDiv1_021780, BAS 02556520, BIM-0044214.P001, 2-phenylethyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, 2-phenylethyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine-3-c arboxylate
| Molecular Formula | C21H19Cl2NO3 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 4.6568 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0742 |
| Heavy Atoms | 27 |
| Complexity | 893.5547 |
Chemical Identifiers
| CAS Number | 312696-85-8 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_021780 (CAS 312696-85-8), with molecular formula C21H19Cl2NO3 and molecular weight 403.07 g/mol. IUPAC: 2-phenylethyl 4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of ChemDiv1_021780
Property Insights of ChemDiv1_021780
The XLogP value of 4.6568 indicates that ChemDiv1_021780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ChemDiv1_021780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021780 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_021780?
The CAS number of ChemDiv1_021780 is 312696-85-8.
What is the molecular formula of ChemDiv1_021780?
The molecular formula of ChemDiv1_021780 is C21H19Cl2NO3.
What is the molecular weight of ChemDiv1_021780?
The molecular weight of ChemDiv1_021780 is 403.07 g/mol.
Where can I buy ChemDiv1_021780?
You can request a quote for ChemDiv1_021780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021780?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.