RefChem:456754
TL;DR: RefChem:456754 (CAS 372498-53-8) is a chemical compound with molecular formula C28H29N5O3S2 and molecular weight 547.17 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-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(4-benzylpiperazin-1-yl)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-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-[(OXOLAN-2-YL)METHYL]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 2-(4-BENZYL-1-PIPERAZINYL)-3-((Z)-(4-OXO-3-(TETRAHYDRO-2-FURANYLMETHYL)-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-O NE
| Molecular Formula | C28H29N5O3S2 |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 3.3969 |
| Topological Polar Surface Area | 70.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.1712 |
| Heavy Atoms | 38 |
| Complexity | 1443.8696 |
Chemical Identifiers
| CAS Number | 372498-53-8 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC=CC=C6)/SC2=S |
Product Overview
RefChem:456754 (CAS 372498-53-8), with molecular formula C28H29N5O3S2 and molecular weight 547.17 g/mol. IUPAC: (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:456754
Property Insights of RefChem:456754
The XLogP value of 3.3969 indicates that RefChem:456754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:456754. Following Lipinski's Rule of Five, RefChem:456754 has 0 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 RefChem:456754?
The CAS number of RefChem:456754 is 372498-53-8.
What is the molecular formula of RefChem:456754?
The molecular formula of RefChem:456754 is C28H29N5O3S2.
What is the molecular weight of RefChem:456754?
The molecular weight of RefChem:456754 is 547.17 g/mol.
Where can I buy RefChem:456754?
You can request a quote for RefChem:456754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:456754?
Yes, KEHONG BIO provides custom synthesis services for RefChem:456754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.