RefChem:549452
TL;DR: RefChem:549452 (CAS 609794-58-3) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one, 647-066-2, 9-Methyl-3-((Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-phenoxy-4H-pyrido(1,2-A)pyrimidin-4-one, RefChem:549452
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 4.40642 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1235.6014 |
Chemical Identifiers
| CAS Number | 609794-58-3 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC=C4)/SC1=S |
Product Overview
RefChem:549452 (CAS 609794-58-3), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: (5Z)-5-[(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:549452
Property Insights of RefChem:549452
The XLogP value of 4.40642 indicates that RefChem:549452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:549452. Following Lipinski's Rule of Five, RefChem:549452 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:549452?
The CAS number of RefChem:549452 is 609794-58-3.
What is the molecular formula of RefChem:549452?
The molecular formula of RefChem:549452 is C22H19N3O3S2.
What is the molecular weight of RefChem:549452?
The molecular weight of RefChem:549452 is 437.09 g/mol.
Where can I buy RefChem:549452?
You can request a quote for RefChem:549452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:549452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:549452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.