AF-399/40828096
TL;DR: AF-399/40828096 (CAS 385786-36-7) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-benzoyloxy-3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AF-399/40828096, F0775-0223, ethyl 4-[4-(benzoyloxy)-3-methoxyphenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(4-benzoyloxy-3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, ethyl 4-(4-(benzoyloxy)-3-methoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.6125 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 1035.5173 |
Chemical Identifiers
| CAS Number | 385786-36-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C)C |
Product Overview
AF-399/40828096 (CAS 385786-36-7), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: ethyl 6-(4-benzoyloxy-3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/40828096
Property Insights of AF-399/40828096
The XLogP value of 3.6125 indicates that AF-399/40828096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40828096. Following Lipinski's Rule of Five, AF-399/40828096 has 1 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-399/40828096?
The CAS number of AF-399/40828096 is 385786-36-7.
What is the molecular formula of AF-399/40828096?
The molecular formula of AF-399/40828096 is C23H24N2O5S.
What is the molecular weight of AF-399/40828096?
The molecular weight of AF-399/40828096 is 440.14 g/mol.
Where can I buy AF-399/40828096?
You can request a quote for AF-399/40828096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40828096?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40828096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.