RefChem:488840
TL;DR: RefChem:488840 (CAS 617696-69-2) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-cyclopentyl-5-[[2-(ethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: SALOR-INT L441074-1EA, 3-[(E)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (5E)-3-cyclopentyl-5-[[2-(ethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-((E)-(3-Cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(ethylamino)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.57852 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1054.0872 |
Chemical Identifiers
| CAS Number | 617696-69-2 |
|---|---|
| SMILES | CCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C/3\C(=O)N(C(=S)S3)C4CCCC4 |
Product Overview
RefChem:488840 (CAS 617696-69-2), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: (5E)-3-cyclopentyl-5-[[2-(ethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:488840
Property Insights of RefChem:488840
The XLogP value of 3.57852 indicates that RefChem:488840 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:488840. Following Lipinski's Rule of Five, RefChem:488840 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:488840?
The CAS number of RefChem:488840 is 617696-69-2.
What is the molecular formula of RefChem:488840?
The molecular formula of RefChem:488840 is C20H22N4O2S2.
What is the molecular weight of RefChem:488840?
The molecular weight of RefChem:488840 is 414.12 g/mol.
Where can I buy RefChem:488840?
You can request a quote for RefChem:488840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:488840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:488840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.