RefChem:538942
TL;DR: RefChem:538942 (CAS 618076-77-0) is a chemical compound with molecular formula C25H31N5O4S2 and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: 6-(5-((2-(4-Ethylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-((5Z)-5-((2-(4-ETHYL-1-PIPERAZINYL)-7-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYR IMIDIN-3-YL)METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID, 6-((5Z)-5-{[2-(4-Ethyl-1-piperazinyl)-7-methyl-4-oxo-4H-pyrido[1,2-A]pyr imidin-3-YL]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)hexanoic acid, 6-((5Z)-5-{[2-(4-ethyl-1-piperazinyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid, 6-[(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C25H31N5O4S2 |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 2.99102 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.18176 |
| Heavy Atoms | 36 |
| Complexity | 1267.0634 |
Chemical Identifiers
| CAS Number | 618076-77-0 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CCCCCC(=O)O |
Product Overview
RefChem:538942 (CAS 618076-77-0), with molecular formula C25H31N5O4S2 and molecular weight 529.18 g/mol. IUPAC: 6-[(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of RefChem:538942
Property Insights of RefChem:538942
The XLogP value of 2.99102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:538942. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:538942. Following Lipinski's Rule of Five, RefChem:538942 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 RefChem:538942?
The CAS number of RefChem:538942 is 618076-77-0.
What is the molecular formula of RefChem:538942?
The molecular formula of RefChem:538942 is C25H31N5O4S2.
What is the molecular weight of RefChem:538942?
The molecular weight of RefChem:538942 is 529.18 g/mol.
Where can I buy RefChem:538942?
You can request a quote for RefChem:538942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:538942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:538942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.