AF-399/42124392
TL;DR: AF-399/42124392 (CAS 578760-79-9) is a chemical compound with molecular formula C28H27NO7 and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AF-399/42124392, (4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione, 5-(3-butoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 5-(3-butoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(furan-2-ylmethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H27NO7 |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 4.8516 |
| Topological Polar Surface Area | 98.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.17874 |
| Heavy Atoms | 36 |
| Complexity | 1294.9868 |
Chemical Identifiers
| CAS Number | 578760-79-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CO5 |
Product Overview
AF-399/42124392 (CAS 578760-79-9), with molecular formula C28H27NO7 and molecular weight 489.18 g/mol. IUPAC: (4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42124392
Property Insights of AF-399/42124392
The XLogP value of 4.8516 indicates that AF-399/42124392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42124392. Following Lipinski's Rule of Five, AF-399/42124392 has 1 hydrogen bond donor(s) and 7 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-399/42124392?
The CAS number of AF-399/42124392 is 578760-79-9.
What is the molecular formula of AF-399/42124392?
The molecular formula of AF-399/42124392 is C28H27NO7.
What is the molecular weight of AF-399/42124392?
The molecular weight of AF-399/42124392 is 489.18 g/mol.
Where can I buy AF-399/42124392?
You can request a quote for AF-399/42124392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42124392?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42124392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.