AF-399/40828071
TL;DR: AF-399/40828071 (CAS 367907-65-1) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-benzoyloxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AF-399/40828071, methyl 4-(4-(benzoyloxy)phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-(4-benzoyloxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, F0497-0193, METHYL 4-[4-(BENZOYLOXY)PHENYL]-1,6-DIMETHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.2138 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 938.63776 |
Chemical Identifiers
| CAS Number | 367907-65-1 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
Product Overview
AF-399/40828071 (CAS 367907-65-1), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: methyl 6-(4-benzoyloxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/40828071
Property Insights of AF-399/40828071
The XLogP value of 3.2138 indicates that AF-399/40828071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40828071. Following Lipinski's Rule of Five, AF-399/40828071 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 AF-399/40828071?
The CAS number of AF-399/40828071 is 367907-65-1.
What is the molecular formula of AF-399/40828071?
The molecular formula of AF-399/40828071 is C21H20N2O4S.
What is the molecular weight of AF-399/40828071?
The molecular weight of AF-399/40828071 is 396.11 g/mol.
Where can I buy AF-399/40828071?
You can request a quote for AF-399/40828071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40828071?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40828071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.