AS-871/41114561
TL;DR: AS-871/41114561 (CAS 383371-76-4) is a chemical compound with molecular formula C24H29N5O3S2 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AS-871/41114561, 2-(4-ethylpiperazin-1-yl)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one, 2-(4-ethyl-1-piperazinyl)-9-methyl-3-{[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C24H29N5O3S2 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 2.52502 |
| Topological Polar Surface Area | 70.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.17117 |
| Heavy Atoms | 34 |
| Complexity | 1213.0454 |
Chemical Identifiers
| CAS Number | 383371-76-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5CCCO5 |
Product Overview
AS-871/41114561 (CAS 383371-76-4), with molecular formula C24H29N5O3S2 and molecular weight 499.17 g/mol. IUPAC: (5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AS-871/41114561
Property Insights of AS-871/41114561
The XLogP value of 2.52502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41114561. The TPSA of 70.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41114561. Following Lipinski's Rule of Five, AS-871/41114561 has 0 hydrogen bond donor(s) and 8 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 AS-871/41114561?
The CAS number of AS-871/41114561 is 383371-76-4.
What is the molecular formula of AS-871/41114561?
The molecular formula of AS-871/41114561 is C24H29N5O3S2.
What is the molecular weight of AS-871/41114561?
The molecular weight of AS-871/41114561 is 499.17 g/mol.
Where can I buy AS-871/41114561?
You can request a quote for AS-871/41114561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41114561?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41114561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.