AF-399/42017098
TL;DR: AF-399/42017098 (CAS 618365-15-4) is a chemical compound with molecular formula C26H28N2O7 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
Also Known As: AF-399/42017098, 4-(1-benzofuran-2-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, 3-(1-Benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one, 3-(1-benzofuran-2-carbonyl)-1-(2-dimethylaminoethyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one, 4-(1-BENZOFURAN-2-CARBONYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C26H28N2O7 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 3.5985 |
| Topological Polar Surface Area | 101.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.18964 |
| Heavy Atoms | 35 |
| Complexity | 1250.0226 |
Chemical Identifiers
| CAS Number | 618365-15-4 |
|---|---|
| SMILES | CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
AF-399/42017098 (CAS 618365-15-4), with molecular formula C26H28N2O7 and molecular weight 480.19 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42017098
Property Insights of AF-399/42017098
The XLogP value of 3.5985 indicates that AF-399/42017098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42017098. Following Lipinski's Rule of Five, AF-399/42017098 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-399/42017098?
The CAS number of AF-399/42017098 is 618365-15-4.
What is the molecular formula of AF-399/42017098?
The molecular formula of AF-399/42017098 is C26H28N2O7.
What is the molecular weight of AF-399/42017098?
The molecular weight of AF-399/42017098 is 480.19 g/mol.
Where can I buy AF-399/42017098?
You can request a quote for AF-399/42017098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42017098?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42017098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.