RefChem:456756
TL;DR: RefChem:456756 (CAS 477735-25-4) is a chemical compound with molecular formula C29H33N5O2S2 and molecular weight 547.21 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)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(4-BENZYL-1-PIPERAZINYL)-9-METHYL-3-[(Z)-(4-OXO-3-PENTYL-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (Z)-5-((2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(4-BENZYL-1-PIPERAZINYL)-9-METHYL-3-((Z)-(4-OXO-3-PENTYL-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 2-(4-benzylpiperazin-1-yl)-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C29H33N5O2S2 |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 4.71652 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2076 |
| Heavy Atoms | 38 |
| Complexity | 1428.1493 |
Chemical Identifiers
| CAS Number | 477735-25-4 |
|---|---|
| SMILES | CCCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC=CC=C5)/SC1=S |
Product Overview
RefChem:456756 (CAS 477735-25-4), with molecular formula C29H33N5O2S2 and molecular weight 547.21 g/mol. IUPAC: (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:456756
Property Insights of RefChem:456756
The XLogP value of 4.71652 indicates that RefChem:456756 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:456756. Following Lipinski's Rule of Five, RefChem:456756 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:456756?
The CAS number of RefChem:456756 is 477735-25-4.
What is the molecular formula of RefChem:456756?
The molecular formula of RefChem:456756 is C29H33N5O2S2.
What is the molecular weight of RefChem:456756?
The molecular weight of RefChem:456756 is 547.21 g/mol.
Where can I buy RefChem:456756?
You can request a quote for RefChem:456756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:456756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:456756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.