AF-399/42094129
TL;DR: AF-399/42094129 (CAS 620554-47-4) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AF-399/42094129, prop-2-enyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, allyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, prop-2-en-1-yl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, prop-2-en-1-yl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.8532 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 844.4665 |
Chemical Identifiers
| CAS Number | 620554-47-4 |
|---|---|
| SMILES | CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC=C)C3=CC=C(C=C3)OCC |
Product Overview
AF-399/42094129 (CAS 620554-47-4), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: prop-2-enyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AF-399/42094129
Property Insights of AF-399/42094129
The XLogP value of 3.8532 indicates that AF-399/42094129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42094129. Following Lipinski's Rule of Five, AF-399/42094129 has 0 hydrogen bond donor(s) and 6 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-399/42094129?
The CAS number of AF-399/42094129 is 620554-47-4.
What is the molecular formula of AF-399/42094129?
The molecular formula of AF-399/42094129 is C21H24N2O4S.
What is the molecular weight of AF-399/42094129?
The molecular weight of AF-399/42094129 is 400.15 g/mol.
Where can I buy AF-399/42094129?
You can request a quote for AF-399/42094129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42094129?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42094129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.