ChemDiv1_010236
TL;DR: ChemDiv1_010236 (CAS 374087-49-7) is a chemical compound with molecular formula C26H27N5O3S2 and molecular weight 521.16 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-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_010236, (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-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-(1-phenylethyl)-2-thioxothiazolidin-4-one, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C26H27N5O3S2 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 2.7712 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1555 |
| Heavy Atoms | 36 |
| Complexity | 1383.3402 |
Chemical Identifiers
| CAS Number | 374087-49-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CCO)/SC2=S |
Product Overview
ChemDiv1_010236 (CAS 374087-49-7), with molecular formula C26H27N5O3S2 and molecular weight 521.16 g/mol. IUPAC: (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_010236
Property Insights of ChemDiv1_010236
The XLogP value of 2.7712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010236. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010236. Following Lipinski's Rule of Five, ChemDiv1_010236 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010236?
The CAS number of ChemDiv1_010236 is 374087-49-7.
What is the molecular formula of ChemDiv1_010236?
The molecular formula of ChemDiv1_010236 is C26H27N5O3S2.
What is the molecular weight of ChemDiv1_010236?
The molecular weight of ChemDiv1_010236 is 521.16 g/mol.
Where can I buy ChemDiv1_010236?
You can request a quote for ChemDiv1_010236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010236?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.