ChemDiv2_004294
TL;DR: ChemDiv2_004294 (CAS 331944-65-1) is a chemical compound with molecular formula C22H19NO3 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-oxo-4-phenyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
Also Known As: ChemDiv2_004294, IDI1_003009, BAS 00655824, ethyl 2-methyl-5-oxo-4-phenyl-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate, 2-Methyl-5-oxo-4-phenyl-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylic acid
| Molecular Formula | C22H19NO3 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 3.9227 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1365 |
| Heavy Atoms | 26 |
| Complexity | 956.3625 |
Chemical Identifiers
| CAS Number | 331944-65-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2C(C1C3=CC=CC=C3)C(=O)C4=CC=CC=C42)C |
Product Overview
ChemDiv2_004294 (CAS 331944-65-1), with molecular formula C22H19NO3 and molecular weight 345.14 g/mol. IUPAC: ethyl 2-methyl-5-oxo-4-phenyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv2_004294
Property Insights of ChemDiv2_004294
The XLogP value of 3.9227 indicates that ChemDiv2_004294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, ChemDiv2_004294 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004294 has 0 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 ChemDiv2_004294?
The CAS number of ChemDiv2_004294 is 331944-65-1.
What is the molecular formula of ChemDiv2_004294?
The molecular formula of ChemDiv2_004294 is C22H19NO3.
What is the molecular weight of ChemDiv2_004294?
The molecular weight of ChemDiv2_004294 is 345.14 g/mol.
Where can I buy ChemDiv2_004294?
You can request a quote for ChemDiv2_004294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004294?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.