AF-399/41114943
TL;DR: AF-399/41114943 (CAS 378770-23-1) is a chemical compound with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-acetyloxyphenyl)-2-[(3-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AF-399/41114943, ethyl 5-[4-(acetyloxy)phenyl]-2-(3-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-acetyloxyphenyl)-2-[(3-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-acetoxyphenyl)-2-(3-chlorobenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-{2-[(3-chlorophenyl)methylene]-6-(ethoxycarbonyl)-7-methyl-3-oxo-4,5-dihydro -1,3-thiazolidino[3,2-a]pyrimidin-5-yl}phenyl acetate
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 3.377 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1484.6792 |
Chemical Identifiers
| CAS Number | 378770-23-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)/C(=C/C4=CC(=CC=C4)Cl)/S2)C |
Product Overview
AF-399/41114943 (CAS 378770-23-1), with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol. IUPAC: ethyl (2Z)-5-(4-acetyloxyphenyl)-2-[(3-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AF-399/41114943
Property Insights of AF-399/41114943
The XLogP value of 3.377 indicates that AF-399/41114943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41114943. Following Lipinski's Rule of Five, AF-399/41114943 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 AF-399/41114943?
The CAS number of AF-399/41114943 is 378770-23-1.
What is the molecular formula of AF-399/41114943?
The molecular formula of AF-399/41114943 is C25H21ClN2O5S.
What is the molecular weight of AF-399/41114943?
The molecular weight of AF-399/41114943 is 496.09 g/mol.
Where can I buy AF-399/41114943?
You can request a quote for AF-399/41114943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41114943?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41114943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.