AF-399/41703498
TL;DR: AF-399/41703498 (CAS 488802-42-2) is a chemical compound with molecular formula C31H42N2O4 and molecular weight 506.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Also Known As: AF-399/41703498, (4E)-5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione, 5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-(tert-butyl)phenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one, 5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C31H42N2O4 |
|---|---|
| Molecular Weight | 506.31 g/mol |
| LogP | 5.70072 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.31445 |
| Heavy Atoms | 37 |
| Complexity | 1156.7207 |
Chemical Identifiers
| CAS Number | 488802-42-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)(C)C)/O)OCC(C)C |
Product Overview
AF-399/41703498 (CAS 488802-42-2), with molecular formula C31H42N2O4 and molecular weight 506.31 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41703498
Property Insights of AF-399/41703498
The XLogP value of 5.70072 indicates that AF-399/41703498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41703498. Following Lipinski's Rule of Five, AF-399/41703498 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41703498?
The CAS number of AF-399/41703498 is 488802-42-2.
What is the molecular formula of AF-399/41703498?
The molecular formula of AF-399/41703498 is C31H42N2O4.
What is the molecular weight of AF-399/41703498?
The molecular weight of AF-399/41703498 is 506.31 g/mol.
Where can I buy AF-399/41703498?
You can request a quote for AF-399/41703498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41703498?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41703498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.