AF-399/42124386
TL;DR: AF-399/42124386 (CAS 620565-58-4) is a chemical compound with molecular formula C26H21NO8 and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: AF-399/42124386, methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(2-furylmethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
| Molecular Formula | C26H21NO8 |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 3.4593 |
| Topological Polar Surface Area | 115.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.1267 |
| Heavy Atoms | 35 |
| Complexity | 1323.8915 |
Chemical Identifiers
| CAS Number | 620565-58-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CC5=CC=CO5 |
Product Overview
AF-399/42124386 (CAS 620565-58-4), with molecular formula C26H21NO8 and molecular weight 475.13 g/mol. IUPAC: methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of AF-399/42124386
Property Insights of AF-399/42124386
The XLogP value of 3.4593 indicates that AF-399/42124386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42124386. Following Lipinski's Rule of Five, AF-399/42124386 has 1 hydrogen bond donor(s) and 8 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-399/42124386?
The CAS number of AF-399/42124386 is 620565-58-4.
What is the molecular formula of AF-399/42124386?
The molecular formula of AF-399/42124386 is C26H21NO8.
What is the molecular weight of AF-399/42124386?
The molecular weight of AF-399/42124386 is 475.13 g/mol.
Where can I buy AF-399/42124386?
You can request a quote for AF-399/42124386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42124386?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42124386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.