AF-399/42016996
TL;DR: AF-399/42016996 (CAS 618365-99-4) is a chemical compound with molecular formula C27H28N2O7 and molecular weight 492.19 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)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
Also Known As: AF-399/42016996, 3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C27H28N2O7 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 3.4476 |
| Topological Polar Surface Area | 112.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.18964 |
| Heavy Atoms | 36 |
| Complexity | 1289.6583 |
Chemical Identifiers
| CAS Number | 618365-99-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)O |
Product Overview
AF-399/42016996 (CAS 618365-99-4), with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016996
Property Insights of AF-399/42016996
The XLogP value of 3.4476 indicates that AF-399/42016996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016996. Following Lipinski's Rule of Five, AF-399/42016996 has 2 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-399/42016996?
The CAS number of AF-399/42016996 is 618365-99-4.
What is the molecular formula of AF-399/42016996?
The molecular formula of AF-399/42016996 is C27H28N2O7.
What is the molecular weight of AF-399/42016996?
The molecular weight of AF-399/42016996 is 492.19 g/mol.
Where can I buy AF-399/42016996?
You can request a quote for AF-399/42016996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016996?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.