ChemDiv1_022896
TL;DR: ChemDiv1_022896 (CAS 346725-37-9) is a chemical compound with molecular formula C22H21Cl2NO3 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ChemDiv1_022896, BIM-0047834.P001, 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine-3- carboxylate, 3-Phenylpropyl 4-(3,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate #
| Molecular Formula | C22H21Cl2NO3 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.08984 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 346725-37-9 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3 |
| InChIKey | IKCNEGHZVLZHOQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_022896 (CAS 346725-37-9), with molecular formula C22H21Cl2NO3 and molecular weight 417.09 g/mol. IUPAC: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of ChemDiv1_022896
Property Insights of ChemDiv1_022896
The XLogP value of 4.9 indicates that ChemDiv1_022896 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_022896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022896 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_022896?
The CAS number of ChemDiv1_022896 is 346725-37-9.
What is the molecular formula of ChemDiv1_022896?
The molecular formula of ChemDiv1_022896 is C22H21Cl2NO3.
What is the molecular weight of ChemDiv1_022896?
The molecular weight of ChemDiv1_022896 is 417.09 g/mol.
Where can I buy ChemDiv1_022896?
You can request a quote for ChemDiv1_022896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022896?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.