ChemDiv3_003078
TL;DR: ChemDiv3_003078 (CAS 459154-15-5) is a chemical compound with molecular formula C24H24N2O2S3 and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-hydroxy-2-methylsulfinylcyclohexyl)methylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: ChemDiv3_003078, AB01320001-02, AB01320001-03, 2-({[1-hydroxy-2-(methylsulfinyl)cyclohexyl]methyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile, 2-(((1-hydroxy-2-(methylsulfinyl)cyclohexyl)methyl)thio)-4-phenyl-6-(thiophen-2-yl)nicotinonitrile
| Molecular Formula | C24H24N2O2S3 |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 5.49308 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.1 |
| Heavy Atoms | 31 |
| Complexity | 1109.8531 |
Chemical Identifiers
| CAS Number | 459154-15-5 |
|---|---|
| SMILES | CS(=O)C1CCCCC1(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O |
Product Overview
ChemDiv3_003078 (CAS 459154-15-5), with molecular formula C24H24N2O2S3 and molecular weight 468.10 g/mol. IUPAC: 2-[(1-hydroxy-2-methylsulfinylcyclohexyl)methylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv3_003078
Property Insights of ChemDiv3_003078
The XLogP value of 5.49308 indicates that ChemDiv3_003078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003078. Following Lipinski's Rule of Five, ChemDiv3_003078 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003078?
The CAS number of ChemDiv3_003078 is 459154-15-5.
What is the molecular formula of ChemDiv3_003078?
The molecular formula of ChemDiv3_003078 is C24H24N2O2S3.
What is the molecular weight of ChemDiv3_003078?
The molecular weight of ChemDiv3_003078 is 468.10 g/mol.
Where can I buy ChemDiv3_003078?
You can request a quote for ChemDiv3_003078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003078?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.