AS-871/42016680
TL;DR: AS-871/42016680 (CAS 618368-41-5) is a chemical compound with molecular formula C25H19NO5 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
Also Known As: AS-871/42016680, 4-(1-benzofuran-2-ylcarbonyl)-1-(furan-2-ylmethyl)-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(benzofuran-2-carbonyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-methylphenyl)-5H-pyrrol-2-one, 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-carbonyl)-1-[(furan-2-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C25H19NO5 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 5.11272 |
| Topological Polar Surface Area | 83.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1263 |
| Heavy Atoms | 31 |
| Complexity | 1278.7279 |
Chemical Identifiers
| CAS Number | 618368-41-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
AS-871/42016680 (CAS 618368-41-5), with molecular formula C25H19NO5 and molecular weight 413.13 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/42016680
Property Insights of AS-871/42016680
The XLogP value of 5.11272 indicates that AS-871/42016680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42016680. Following Lipinski's Rule of Five, AS-871/42016680 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/42016680?
The CAS number of AS-871/42016680 is 618368-41-5.
What is the molecular formula of AS-871/42016680?
The molecular formula of AS-871/42016680 is C25H19NO5.
What is the molecular weight of AS-871/42016680?
The molecular weight of AS-871/42016680 is 413.13 g/mol.
Where can I buy AS-871/42016680?
You can request a quote for AS-871/42016680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42016680?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42016680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.