AS-871/40484828
TL;DR: AS-871/40484828 (CAS 381194-71-4) is a chemical compound with molecular formula C25H23N3O6S and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AS-871/40484828, propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, isopropyl 2-{3-nitrobenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-isopropyl 5-(4-methoxyphenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H23N3O6S |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 3.1036 |
| Topological Polar Surface Area | 113.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.13077 |
| Heavy Atoms | 35 |
| Complexity | 1515.7091 |
Chemical Identifiers
| CAS Number | 381194-71-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C |
Product Overview
AS-871/40484828 (CAS 381194-71-4), with molecular formula C25H23N3O6S and molecular weight 493.13 g/mol. IUPAC: propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AS-871/40484828
Property Insights of AS-871/40484828
The XLogP value of 3.1036 indicates that AS-871/40484828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40484828. Following Lipinski's Rule of Five, AS-871/40484828 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-871/40484828?
The CAS number of AS-871/40484828 is 381194-71-4.
What is the molecular formula of AS-871/40484828?
The molecular formula of AS-871/40484828 is C25H23N3O6S.
What is the molecular weight of AS-871/40484828?
The molecular weight of AS-871/40484828 is 493.13 g/mol.
Where can I buy AS-871/40484828?
You can request a quote for AS-871/40484828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40484828?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40484828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.