AP-828/40845132
TL;DR: AP-828/40845132 (CAS 431070-56-3) is a chemical compound with molecular formula C25H18FN3O2S2 and molecular weight 475.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(thiophen-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Also Known As: AP-828/40845132, 5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(3-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, (2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(thiophen-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
| Molecular Formula | C25H18FN3O2S2 |
|---|---|
| Molecular Weight | 475.08 g/mol |
| LogP | 4.0745 |
| Topological Polar Surface Area | 63.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.08246 |
| Heavy Atoms | 33 |
| Complexity | 1533.8713 |
Chemical Identifiers
| CAS Number | 431070-56-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CSC=C3)/SC2=N1)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5 |
Product Overview
AP-828/40845132 (CAS 431070-56-3), with molecular formula C25H18FN3O2S2 and molecular weight 475.08 g/mol. IUPAC: (2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(thiophen-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
Chemical Property Profile of AP-828/40845132
Property Insights of AP-828/40845132
The XLogP value of 4.0745 indicates that AP-828/40845132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/40845132. Following Lipinski's Rule of Five, AP-828/40845132 has 1 hydrogen bond donor(s) and 5 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 AP-828/40845132?
The CAS number of AP-828/40845132 is 431070-56-3.
What is the molecular formula of AP-828/40845132?
The molecular formula of AP-828/40845132 is C25H18FN3O2S2.
What is the molecular weight of AP-828/40845132?
The molecular weight of AP-828/40845132 is 475.08 g/mol.
Where can I buy AP-828/40845132?
You can request a quote for AP-828/40845132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40845132?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40845132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.