AF-399/41704092
TL;DR: AF-399/41704092 (CAS 500148-82-3) is a chemical compound with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AF-399/41704092, F1038-0246, benzyl 4-(4-(benzyloxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, benzyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, benzyl 6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C26H24N2O3S |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 4.8018 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.15076 |
| Heavy Atoms | 32 |
| Complexity | 1112.8285 |
Chemical Identifiers
| CAS Number | 500148-82-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 |
Product Overview
AF-399/41704092 (CAS 500148-82-3), with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol. IUPAC: benzyl 6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/41704092
Property Insights of AF-399/41704092
The XLogP value of 4.8018 indicates that AF-399/41704092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, AF-399/41704092 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41704092 has 2 hydrogen bond donor(s) and 4 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-399/41704092?
The CAS number of AF-399/41704092 is 500148-82-3.
What is the molecular formula of AF-399/41704092?
The molecular formula of AF-399/41704092 is C26H24N2O3S.
What is the molecular weight of AF-399/41704092?
The molecular weight of AF-399/41704092 is 444.15 g/mol.
Where can I buy AF-399/41704092?
You can request a quote for AF-399/41704092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41704092?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41704092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.