ChemDiv1_006017
TL;DR: ChemDiv1_006017 (CAS 361994-62-9) is a chemical compound with molecular formula C26H26N4O2S2 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_006017, 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-benzyl-5-((9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-BENZYL-5-{[9-METHYL-2-(4-METHYLPIPERIDIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C26H26N4O2S2 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 4.64062 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.14972 |
| Heavy Atoms | 34 |
| Complexity | 1358.4684 |
Chemical Identifiers
| CAS Number | 361994-62-9 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_006017 (CAS 361994-62-9), with molecular formula C26H26N4O2S2 and molecular weight 490.15 g/mol. IUPAC: (5Z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_006017
Property Insights of ChemDiv1_006017
The XLogP value of 4.64062 indicates that ChemDiv1_006017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.92 Ų, ChemDiv1_006017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006017 has 0 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_006017?
The CAS number of ChemDiv1_006017 is 361994-62-9.
What is the molecular formula of ChemDiv1_006017?
The molecular formula of ChemDiv1_006017 is C26H26N4O2S2.
What is the molecular weight of ChemDiv1_006017?
The molecular weight of ChemDiv1_006017 is 490.15 g/mol.
Where can I buy ChemDiv1_006017?
You can request a quote for ChemDiv1_006017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006017?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.