AF-399/41899456
TL;DR: AF-399/41899456 (CAS 618079-54-2) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41899456, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione, 5-(4-(benzyloxy)phenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 4.2575 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1234.9209 |
Chemical Identifiers
| CAS Number | 618079-54-2 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
AF-399/41899456 (CAS 618079-54-2), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41899456
Property Insights of AF-399/41899456
The XLogP value of 4.2575 indicates that AF-399/41899456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41899456. Following Lipinski's Rule of Five, AF-399/41899456 has 1 hydrogen bond donor(s) and 6 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-399/41899456?
The CAS number of AF-399/41899456 is 618079-54-2.
What is the molecular formula of AF-399/41899456?
The molecular formula of AF-399/41899456 is C29H30N2O5.
What is the molecular weight of AF-399/41899456?
The molecular weight of AF-399/41899456 is 486.22 g/mol.
Where can I buy AF-399/41899456?
You can request a quote for AF-399/41899456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899456?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.