RefChem:489094
TL;DR: RefChem:489094 (CAS 442552-50-3) is a chemical compound with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Salor-int l247898-1ea, 3-[(Z)-(3-ISOBUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-(1-PIPERIDINYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(2-METHYLPROPYL)-5-{[4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-3-isobutyl-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 3.542 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 1054.3174 |
Chemical Identifiers
| CAS Number | 442552-50-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCCCC4)/SC1=S |
Product Overview
RefChem:489094 (CAS 442552-50-3), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: (5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:489094
Property Insights of RefChem:489094
The XLogP value of 3.542 indicates that RefChem:489094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.92 Ų, RefChem:489094 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:489094 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:489094?
The CAS number of RefChem:489094 is 442552-50-3.
What is the molecular formula of RefChem:489094?
The molecular formula of RefChem:489094 is C21H24N4O2S2.
What is the molecular weight of RefChem:489094?
The molecular weight of RefChem:489094 is 428.13 g/mol.
Where can I buy RefChem:489094?
You can request a quote for RefChem:489094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:489094?
Yes, KEHONG BIO provides custom synthesis services for RefChem:489094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.