AF-399/42016696
TL;DR: AF-399/42016696 (CAS 618368-61-9) is a chemical compound with molecular formula C26H21NO7 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: AF-399/42016696, 3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(3-ethoxy-4-hydroxyphenyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H21NO7 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.9086 |
| Topological Polar Surface Area | 113.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1318 |
| Heavy Atoms | 34 |
| Complexity | 1381.2156 |
Chemical Identifiers
| CAS Number | 618368-61-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC5=CC=CC=C5O4)O |
Product Overview
AF-399/42016696 (CAS 618368-61-9), with molecular formula C26H21NO7 and molecular weight 459.13 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016696
Property Insights of AF-399/42016696
The XLogP value of 4.9086 indicates that AF-399/42016696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016696. Following Lipinski's Rule of Five, AF-399/42016696 has 2 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-399/42016696?
The CAS number of AF-399/42016696 is 618368-61-9.
What is the molecular formula of AF-399/42016696?
The molecular formula of AF-399/42016696 is C26H21NO7.
What is the molecular weight of AF-399/42016696?
The molecular weight of AF-399/42016696 is 459.13 g/mol.
Where can I buy AF-399/42016696?
You can request a quote for AF-399/42016696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016696?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.