AS-871/42016983
TL;DR: AS-871/42016983 (CAS 618365-86-9) is a chemical compound with molecular formula C25H23N3O7 and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: AS-871/42016983, 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-{4-nitrophenyl}-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(benzofuran-2-carbonyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
| Molecular Formula | C25H23N3O7 |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 3.2515 |
| Topological Polar Surface Area | 126.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.1536 |
| Heavy Atoms | 35 |
| Complexity | 1289.3387 |
Chemical Identifiers
| CAS Number | 618365-86-9 |
|---|---|
| SMILES | C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
AS-871/42016983 (CAS 618365-86-9), with molecular formula C25H23N3O7 and molecular weight 477.15 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/42016983
Property Insights of AS-871/42016983
The XLogP value of 3.2515 indicates that AS-871/42016983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42016983. Following Lipinski's Rule of Five, AS-871/42016983 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 AS-871/42016983?
The CAS number of AS-871/42016983 is 618365-86-9.
What is the molecular formula of AS-871/42016983?
The molecular formula of AS-871/42016983 is C25H23N3O7.
What is the molecular weight of AS-871/42016983?
The molecular weight of AS-871/42016983 is 477.15 g/mol.
Where can I buy AS-871/42016983?
You can request a quote for AS-871/42016983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42016983?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42016983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.