AF-399/41899599
TL;DR: AF-399/41899599 (CAS 618074-31-0) is a chemical compound with molecular formula C28H33NO5 and molecular weight 463.24 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-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41899599, 4-[4-(allyloxy)benzoyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-(4-(Allyloxy)benzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, 4-(4-(ALLYLOXY)BENZOYL)-5-(4-TERT-BUTYLPHENYL)-3-HYDROXY-1-(3-METHOXYPROPYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C28H33NO5 |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | 5.0071 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.23587 |
| Heavy Atoms | 34 |
| Complexity | 1061.4705 |
Chemical Identifiers
| CAS Number | 618074-31-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CCCOC |
Product Overview
AF-399/41899599 (CAS 618074-31-0), with molecular formula C28H33NO5 and molecular weight 463.24 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41899599
Property Insights of AF-399/41899599
The XLogP value of 5.0071 indicates that AF-399/41899599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41899599. Following Lipinski's Rule of Five, AF-399/41899599 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-399/41899599?
The CAS number of AF-399/41899599 is 618074-31-0.
What is the molecular formula of AF-399/41899599?
The molecular formula of AF-399/41899599 is C28H33NO5.
What is the molecular weight of AF-399/41899599?
The molecular weight of AF-399/41899599 is 463.24 g/mol.
Where can I buy AF-399/41899599?
You can request a quote for AF-399/41899599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899599?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.