ChemDiv2_004299
TL;DR: ChemDiv2_004299 (CAS 684238-06-0) is a chemical compound with molecular formula C23H20FN3O2S and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-6-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: ChemDiv2_004299, IDI1_003014, 4-(2-fluorophenyl)-6-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(2-fluorophenyl)-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2-fluorophenyl)-2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C23H20FN3O2S |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 3.87538 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.12604 |
| Heavy Atoms | 30 |
| Complexity | 1091.851 |
Chemical Identifiers
| CAS Number | 684238-06-0 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=O)CSC3=C(C(CC(=O)N3)C4=CC=CC=C4F)C#N |
Product Overview
ChemDiv2_004299 (CAS 684238-06-0), with molecular formula C23H20FN3O2S and molecular weight 421.13 g/mol. IUPAC: 4-(2-fluorophenyl)-6-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of ChemDiv2_004299
Property Insights of ChemDiv2_004299
The XLogP value of 3.87538 indicates that ChemDiv2_004299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004299. Following Lipinski's Rule of Five, ChemDiv2_004299 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 ChemDiv2_004299?
The CAS number of ChemDiv2_004299 is 684238-06-0.
What is the molecular formula of ChemDiv2_004299?
The molecular formula of ChemDiv2_004299 is C23H20FN3O2S.
What is the molecular weight of ChemDiv2_004299?
The molecular weight of ChemDiv2_004299 is 421.13 g/mol.
Where can I buy ChemDiv2_004299?
You can request a quote for ChemDiv2_004299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004299?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.