ChemDiv1_009911
TL;DR: ChemDiv1_009911 (CAS 438244-17-8) is a chemical compound with molecular formula C22H24N4O4S2 and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: ChemDiv1_009911, (Z)-4-(5-((9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-{[9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, F1260-1563, 4-[(5Z)-5-[(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C22H24N4O4S2 |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 3.05922 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.1239 |
| Heavy Atoms | 32 |
| Complexity | 1184.4017 |
Chemical Identifiers
| CAS Number | 438244-17-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)N4CCCCC4 |
Product Overview
ChemDiv1_009911 (CAS 438244-17-8), with molecular formula C22H24N4O4S2 and molecular weight 472.12 g/mol. IUPAC: 4-[(5Z)-5-[(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of ChemDiv1_009911
Property Insights of ChemDiv1_009911
The XLogP value of 3.05922 indicates that ChemDiv1_009911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009911. Following Lipinski's Rule of Five, ChemDiv1_009911 has 1 hydrogen bond donor(s) and 7 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_009911?
The CAS number of ChemDiv1_009911 is 438244-17-8.
What is the molecular formula of ChemDiv1_009911?
The molecular formula of ChemDiv1_009911 is C22H24N4O4S2.
What is the molecular weight of ChemDiv1_009911?
The molecular weight of ChemDiv1_009911 is 472.12 g/mol.
Where can I buy ChemDiv1_009911?
You can request a quote for ChemDiv1_009911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009911?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.