ChemDiv1_006149
TL;DR: ChemDiv1_006149 (CAS 361994-95-8) is a chemical compound with molecular formula C21H25N5O4S2 and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_006149, 2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-3-{(Z)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (5Z)-5-({2-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-3-(2-METHOXYETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H25N5O4S2 |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 0.6564 |
| Topological Polar Surface Area | 90.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.1348 |
| Heavy Atoms | 32 |
| Complexity | 1111.0522 |
Chemical Identifiers
| CAS Number | 361994-95-8 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CCO)/SC1=S |
Product Overview
ChemDiv1_006149 (CAS 361994-95-8), with molecular formula C21H25N5O4S2 and molecular weight 475.13 g/mol. IUPAC: (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_006149
Property Insights of ChemDiv1_006149
The XLogP value of 0.6564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006149. The TPSA of 90.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006149. Following Lipinski's Rule of Five, ChemDiv1_006149 has 1 hydrogen bond donor(s) and 9 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_006149?
The CAS number of ChemDiv1_006149 is 361994-95-8.
What is the molecular formula of ChemDiv1_006149?
The molecular formula of ChemDiv1_006149 is C21H25N5O4S2.
What is the molecular weight of ChemDiv1_006149?
The molecular weight of ChemDiv1_006149 is 475.13 g/mol.
Where can I buy ChemDiv1_006149?
You can request a quote for ChemDiv1_006149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006149?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.