ChemDiv1_002400
TL;DR: ChemDiv1_002400 (CAS 290299-72-8) is a chemical compound with molecular formula C23H20N2O4S2 and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ChemDiv1_002400, ethyl 4-((3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate, ethyl 4-{[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C23H20N2O4S2 |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 4.97178 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.08646 |
| Heavy Atoms | 31 |
| Complexity | 1103.8503 |
Chemical Identifiers
| CAS Number | 290299-72-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N |
Product Overview
ChemDiv1_002400 (CAS 290299-72-8), with molecular formula C23H20N2O4S2 and molecular weight 452.09 g/mol. IUPAC: ethyl 4-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ChemDiv1_002400
Property Insights of ChemDiv1_002400
The XLogP value of 4.97178 indicates that ChemDiv1_002400 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002400. Following Lipinski's Rule of Five, ChemDiv1_002400 has 0 hydrogen bond donor(s) and 8 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_002400?
The CAS number of ChemDiv1_002400 is 290299-72-8.
What is the molecular formula of ChemDiv1_002400?
The molecular formula of ChemDiv1_002400 is C23H20N2O4S2.
What is the molecular weight of ChemDiv1_002400?
The molecular weight of ChemDiv1_002400 is 452.09 g/mol.
Where can I buy ChemDiv1_002400?
You can request a quote for ChemDiv1_002400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002400?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.