RefChem:459461
TL;DR: RefChem:459461 (CAS 361995-42-8) is a chemical compound with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one, (5Z)-3-ethyl-5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, F0914-3631, (5Z)-3-ethyl-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(allylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C18H18N4O2S2 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.82192 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08713 |
| Heavy Atoms | 26 |
| Complexity | 1010.15356 |
Chemical Identifiers
| CAS Number | 361995-42-8 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCC=C)/SC1=S |
Product Overview
RefChem:459461 (CAS 361995-42-8), with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol. IUPAC: (5Z)-3-ethyl-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:459461
Property Insights of RefChem:459461
The XLogP value of 2.82192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:459461. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:459461. Following Lipinski's Rule of Five, RefChem:459461 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:459461?
The CAS number of RefChem:459461 is 361995-42-8.
What is the molecular formula of RefChem:459461?
The molecular formula of RefChem:459461 is C18H18N4O2S2.
What is the molecular weight of RefChem:459461?
The molecular weight of RefChem:459461 is 386.09 g/mol.
Where can I buy RefChem:459461?
You can request a quote for RefChem:459461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:459461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:459461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.