RefChem:489062
TL;DR: RefChem:489062 (CAS 442867-65-4) is a chemical compound with molecular formula C30H27N5O2S2 and molecular weight 553.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzyl-1-piperazinyl)-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-benzyl-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-BENZYL-5-{[2-(4-BENZYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 3-((Z)-(3-BENZYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-2-(4-BENZYL-1-PIPERAZINYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C30H27N5O2S2 |
|---|---|
| Molecular Weight | 553.16 g/mol |
| LogP | 4.4181 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.16064 |
| Heavy Atoms | 39 |
| Complexity | 1613.2426 |
Chemical Identifiers
| CAS Number | 442867-65-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CC6=CC=CC=C6 |
Product Overview
RefChem:489062 (CAS 442867-65-4), with molecular formula C30H27N5O2S2 and molecular weight 553.16 g/mol. IUPAC: (5Z)-3-benzyl-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:489062
Property Insights of RefChem:489062
The XLogP value of 4.4181 indicates that RefChem:489062 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:489062. Following Lipinski's Rule of Five, RefChem:489062 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:489062?
The CAS number of RefChem:489062 is 442867-65-4.
What is the molecular formula of RefChem:489062?
The molecular formula of RefChem:489062 is C30H27N5O2S2.
What is the molecular weight of RefChem:489062?
The molecular weight of RefChem:489062 is 553.16 g/mol.
Where can I buy RefChem:489062?
You can request a quote for RefChem:489062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:489062?
Yes, KEHONG BIO provides custom synthesis services for RefChem:489062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.