AF-399/41703911
TL;DR: AF-399/41703911 (CAS 500148-25-4) is a chemical compound with molecular formula C31H34N2O6 and molecular weight 530.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-ethoxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/41703911, (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-ethoxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(4-butoxy-3-methylbenzoyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-5-(4-ethoxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(4-butoxy-3-methylbenzoyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C31H34N2O6 |
|---|---|
| Molecular Weight | 530.24 g/mol |
| LogP | 5.59812 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 530.2417 |
| Heavy Atoms | 39 |
| Complexity | 1368.7471 |
Chemical Identifiers
| CAS Number | 500148-25-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)OCC)OC)/O)C |
Product Overview
AF-399/41703911 (CAS 500148-25-4), with molecular formula C31H34N2O6 and molecular weight 530.24 g/mol. IUPAC: (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-ethoxy-3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41703911
Property Insights of AF-399/41703911
The XLogP value of 5.59812 indicates that AF-399/41703911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41703911. Following Lipinski's Rule of Five, AF-399/41703911 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41703911?
The CAS number of AF-399/41703911 is 500148-25-4.
What is the molecular formula of AF-399/41703911?
The molecular formula of AF-399/41703911 is C31H34N2O6.
What is the molecular weight of AF-399/41703911?
The molecular weight of AF-399/41703911 is 530.24 g/mol.
Where can I buy AF-399/41703911?
You can request a quote for AF-399/41703911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41703911?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41703911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.