AS-871/42017096
TL;DR: AS-871/42017096 (CAS 618365-13-2) is a chemical compound with molecular formula C25H26N2O6 and molecular weight 450.18 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]-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: AS-871/42017096, 4-(1-benzofuran-2-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 3-(1-benzofuran-2-carbonyl)-1-(2-dimethylaminoethyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one, 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C25H26N2O6 |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 3.677 |
| Topological Polar Surface Area | 103.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.17908 |
| Heavy Atoms | 33 |
| Complexity | 1209.678 |
Chemical Identifiers
| CAS Number | 618365-13-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)C3=CC4=CC=CC=C4O3)O |
Product Overview
AS-871/42017096 (CAS 618365-13-2), with molecular formula C25H26N2O6 and molecular weight 450.18 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/42017096
Property Insights of AS-871/42017096
The XLogP value of 3.677 indicates that AS-871/42017096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42017096. Following Lipinski's Rule of Five, AS-871/42017096 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 AS-871/42017096?
The CAS number of AS-871/42017096 is 618365-13-2.
What is the molecular formula of AS-871/42017096?
The molecular formula of AS-871/42017096 is C25H26N2O6.
What is the molecular weight of AS-871/42017096?
The molecular weight of AS-871/42017096 is 450.18 g/mol.
Where can I buy AS-871/42017096?
You can request a quote for AS-871/42017096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42017096?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42017096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.