AF-399/41901084
TL;DR: AF-399/41901084 (CAS 618377-47-2) is a chemical compound with molecular formula C27H31NO4 and molecular weight 433.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41901084, 5-(4-tert-butylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione, 5-(4-tert-butylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C27H31NO4 |
|---|---|
| Molecular Weight | 433.23 g/mol |
| LogP | 4.89322 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.2253 |
| Heavy Atoms | 32 |
| Complexity | 1038.5591 |
Chemical Identifiers
| CAS Number | 618377-47-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3CCCO3)C4=CC=C(C=C4)C(C)(C)C)/O |
Product Overview
AF-399/41901084 (CAS 618377-47-2), with molecular formula C27H31NO4 and molecular weight 433.23 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41901084
Property Insights of AF-399/41901084
The XLogP value of 4.89322 indicates that AF-399/41901084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41901084. Following Lipinski's Rule of Five, AF-399/41901084 has 1 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-399/41901084?
The CAS number of AF-399/41901084 is 618377-47-2.
What is the molecular formula of AF-399/41901084?
The molecular formula of AF-399/41901084 is C27H31NO4.
What is the molecular weight of AF-399/41901084?
The molecular weight of AF-399/41901084 is 433.23 g/mol.
Where can I buy AF-399/41901084?
You can request a quote for AF-399/41901084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41901084?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41901084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.