AS-871/41114566
TL;DR: AS-871/41114566 (CAS 381203-57-2) is a chemical compound with molecular formula C22H27N5O2S2 and molecular weight 457.16 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-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AS-871/41114566, (5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one, 2-(4-ethyl-1-piperazinyl)-3-[(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-{[2-(4-ETHYLPIPERAZIN-1-YL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(PROPAN-2-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C22H27N5O2S2 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 2.75442 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1606 |
| Heavy Atoms | 31 |
| Complexity | 1132.6578 |
Chemical Identifiers
| CAS Number | 381203-57-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C(C)C |
Product Overview
AS-871/41114566 (CAS 381203-57-2), with molecular formula C22H27N5O2S2 and molecular weight 457.16 g/mol. IUPAC: (5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AS-871/41114566
Property Insights of AS-871/41114566
The XLogP value of 2.75442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41114566. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41114566. Following Lipinski's Rule of Five, AS-871/41114566 has 0 hydrogen bond donor(s) and 7 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-871/41114566?
The CAS number of AS-871/41114566 is 381203-57-2.
What is the molecular formula of AS-871/41114566?
The molecular formula of AS-871/41114566 is C22H27N5O2S2.
What is the molecular weight of AS-871/41114566?
The molecular weight of AS-871/41114566 is 457.16 g/mol.
Where can I buy AS-871/41114566?
You can request a quote for AS-871/41114566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41114566?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41114566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.