AF-399/42048265
TL;DR: AF-399/42048265 (CAS 620117-64-8) is a chemical compound with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: AF-399/42048265, 5-(3-butoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one, 5-(3-Butoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 5-(3-butoxyphenyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H23N3O5S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 4.70974 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.13583 |
| Heavy Atoms | 32 |
| Complexity | 1195.7207 |
Chemical Identifiers
| CAS Number | 620117-64-8 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)C)O)C(=O)C4=CC=C(O4)C |
Product Overview
AF-399/42048265 (CAS 620117-64-8), with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol. IUPAC: 2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42048265
Property Insights of AF-399/42048265
The XLogP value of 4.70974 indicates that AF-399/42048265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42048265. Following Lipinski's Rule of Five, AF-399/42048265 has 1 hydrogen bond donor(s) and 8 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-399/42048265?
The CAS number of AF-399/42048265 is 620117-64-8.
What is the molecular formula of AF-399/42048265?
The molecular formula of AF-399/42048265 is C23H23N3O5S.
What is the molecular weight of AF-399/42048265?
The molecular weight of AF-399/42048265 is 453.14 g/mol.
Where can I buy AF-399/42048265?
You can request a quote for AF-399/42048265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42048265?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42048265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.