ChemDiv3_004957
TL;DR: ChemDiv3_004957 (CAS 331944-67-3) is a chemical compound with molecular formula C22H18BrNO3 and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
Also Known As: ChemDiv3_004957, BAS 00655826, IDI1_022867, BRD-A04813159-001-01-6, ethyl 4-(4-bromophenyl)-2-methyl-5-oxo-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate
| Molecular Formula | C22H18BrNO3 |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | 4.6852 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.047 |
| Heavy Atoms | 27 |
| Complexity | 1004.4729 |
Chemical Identifiers
| CAS Number | 331944-67-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C42)C |
Product Overview
ChemDiv3_004957 (CAS 331944-67-3), with molecular formula C22H18BrNO3 and molecular weight 423.05 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_004957
Property Insights of ChemDiv3_004957
The XLogP value of 4.6852 indicates that ChemDiv3_004957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, ChemDiv3_004957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004957 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 ChemDiv3_004957?
The CAS number of ChemDiv3_004957 is 331944-67-3.
What is the molecular formula of ChemDiv3_004957?
The molecular formula of ChemDiv3_004957 is C22H18BrNO3.
What is the molecular weight of ChemDiv3_004957?
The molecular weight of ChemDiv3_004957 is 423.05 g/mol.
Where can I buy ChemDiv3_004957?
You can request a quote for ChemDiv3_004957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004957?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.