RefChem:459467
TL;DR: RefChem:459467 (CAS 361995-71-3) is a chemical compound with molecular formula C24H22N4O2S2 and molecular weight 462.12 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-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(allylamino)-9-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one, (5Z)-5-({9-METHYL-4-OXO-2-[(PROP-2-EN-1-YL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-3-(1-PHENYLETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(Allylamino)-9-methyl-3-((Z)-(4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one
| Molecular Formula | C24H22N4O2S2 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.56322 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1184 |
| Heavy Atoms | 32 |
| Complexity | 1314.819 |
Chemical Identifiers
| CAS Number | 361995-71-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)NCC=C |
Product Overview
RefChem:459467 (CAS 361995-71-3), with molecular formula C24H22N4O2S2 and molecular weight 462.12 g/mol. IUPAC: (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:459467
Property Insights of RefChem:459467
The XLogP value of 4.56322 indicates that RefChem:459467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:459467. Following Lipinski's Rule of Five, RefChem:459467 has 1 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:459467?
The CAS number of RefChem:459467 is 361995-71-3.
What is the molecular formula of RefChem:459467?
The molecular formula of RefChem:459467 is C24H22N4O2S2.
What is the molecular weight of RefChem:459467?
The molecular weight of RefChem:459467 is 462.12 g/mol.
Where can I buy RefChem:459467?
You can request a quote for RefChem:459467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:459467?
Yes, KEHONG BIO provides custom synthesis services for RefChem:459467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.