AS-871/42862887
TL;DR: AS-871/42862887 (CAS 488825-11-2) is a chemical compound with molecular formula C21H25N5O2S2 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AS-871/42862887, 3-[(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-isopropyl-5-((7-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-{[7-METHYL-2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(PROPAN-2-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H25N5O2S2 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 2.36432 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.14496 |
| Heavy Atoms | 30 |
| Complexity | 1116.3124 |
Chemical Identifiers
| CAS Number | 488825-11-2 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)N4CCN(CC4)C)C=C1 |
Product Overview
AS-871/42862887 (CAS 488825-11-2), with molecular formula C21H25N5O2S2 and molecular weight 443.14 g/mol. IUPAC: (5Z)-5-[[7-methyl-2-(4-methylpiperazin-1-yl)-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-871/42862887
Property Insights of AS-871/42862887
The XLogP value of 2.36432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42862887. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42862887. Following Lipinski's Rule of Five, AS-871/42862887 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-871/42862887?
The CAS number of AS-871/42862887 is 488825-11-2.
What is the molecular formula of AS-871/42862887?
The molecular formula of AS-871/42862887 is C21H25N5O2S2.
What is the molecular weight of AS-871/42862887?
The molecular weight of AS-871/42862887 is 443.14 g/mol.
Where can I buy AS-871/42862887?
You can request a quote for AS-871/42862887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42862887?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42862887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.