RefChem:456753
TL;DR: RefChem:456753 (CAS 374613-62-4) is a chemical compound with molecular formula C31H29N5O2S2 and molecular weight 567.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-phenethyl-2-thioxothiazolidin-4-one, 2-(4-benzyl-1-piperazinyl)-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[2-(4-BENZYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 2-(4-Benzyl-1-piperazinyl)-3-((Z)-(4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one
| Molecular Formula | C31H29N5O2S2 |
|---|---|
| Molecular Weight | 567.18 g/mol |
| LogP | 4.4606 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.1763 |
| Heavy Atoms | 40 |
| Complexity | 1630.3772 |
Chemical Identifiers
| CAS Number | 374613-62-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CCC6=CC=CC=C6 |
Product Overview
RefChem:456753 (CAS 374613-62-4), with molecular formula C31H29N5O2S2 and molecular weight 567.18 g/mol. IUPAC: (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:456753
Property Insights of RefChem:456753
The XLogP value of 4.4606 indicates that RefChem:456753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:456753. Following Lipinski's Rule of Five, RefChem:456753 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:456753?
The CAS number of RefChem:456753 is 374613-62-4.
What is the molecular formula of RefChem:456753?
The molecular formula of RefChem:456753 is C31H29N5O2S2.
What is the molecular weight of RefChem:456753?
The molecular weight of RefChem:456753 is 567.18 g/mol.
Where can I buy RefChem:456753?
You can request a quote for RefChem:456753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:456753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:456753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.