ChemDiv1_025586
TL;DR: ChemDiv1_025586 (CAS 293320-03-3) is a chemical compound with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-5-acetyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: ChemDiv1_025586, 5-acetyl-2-[(4-fluorobenzyl)sulfanyl]-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-3-pyridinecarbonitrile, A1680/0071706, (4R)-5-acetyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile, (4R)-5-acetyl-2-[(4-fluorobenzyl)sulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H18FN3O3S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.95228 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1053 |
| Heavy Atoms | 30 |
| Complexity | 1117.1929 |
Chemical Identifiers
| CAS Number | 293320-03-3 |
|---|---|
| SMILES | CC1=C([C@H](C(=C(N1)SCC2=CC=C(C=C2)F)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C |
Product Overview
ChemDiv1_025586 (CAS 293320-03-3), with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol. IUPAC: (4R)-5-acetyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_025586
Property Insights of ChemDiv1_025586
The XLogP value of 4.95228 indicates that ChemDiv1_025586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025586. Following Lipinski's Rule of Five, ChemDiv1_025586 has 1 hydrogen bond donor(s) and 6 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_025586?
The CAS number of ChemDiv1_025586 is 293320-03-3.
What is the molecular formula of ChemDiv1_025586?
The molecular formula of ChemDiv1_025586 is C22H18FN3O3S.
What is the molecular weight of ChemDiv1_025586?
The molecular weight of ChemDiv1_025586 is 423.11 g/mol.
Where can I buy ChemDiv1_025586?
You can request a quote for ChemDiv1_025586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025586?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.