AP-828/40845523
TL;DR: AP-828/40845523 (CAS 431886-90-7) is a chemical compound with molecular formula C23H22N2O3S3 and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AP-828/40845523, propan-2-yl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-isopropyl 7-methyl-5-(4-(methylthio)phenyl)-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, isopropyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H22N2O3S3 |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 3.9702 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.07925 |
| Heavy Atoms | 31 |
| Complexity | 1313.794 |
Chemical Identifiers
| CAS Number | 431886-90-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC=CS3)/SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC(C)C |
Product Overview
AP-828/40845523 (CAS 431886-90-7), with molecular formula C23H22N2O3S3 and molecular weight 470.08 g/mol. IUPAC: propan-2-yl (2Z)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AP-828/40845523
Property Insights of AP-828/40845523
The XLogP value of 3.9702 indicates that AP-828/40845523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-828/40845523. Following Lipinski's Rule of Five, AP-828/40845523 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 AP-828/40845523?
The CAS number of AP-828/40845523 is 431886-90-7.
What is the molecular formula of AP-828/40845523?
The molecular formula of AP-828/40845523 is C23H22N2O3S3.
What is the molecular weight of AP-828/40845523?
The molecular weight of AP-828/40845523 is 470.08 g/mol.
Where can I buy AP-828/40845523?
You can request a quote for AP-828/40845523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-828/40845523?
Yes, KEHONG BIO provides custom synthesis services for AP-828/40845523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.