AF-399/42016971
TL;DR: AF-399/42016971 (CAS 618365-74-5) is a chemical compound with molecular formula C28H31N3O5 and molecular weight 489.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
Also Known As: AF-399/42016971, F1673-2977, 4-(1-benzofuran-2-carbonyl)-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one, 4-(benzofuran-2-carbonyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one, 3-(1-Benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
| Molecular Formula | C28H31N3O5 |
|---|---|
| Molecular Weight | 489.23 g/mol |
| LogP | 3.7994 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.22638 |
| Heavy Atoms | 36 |
| Complexity | 1255.0172 |
Chemical Identifiers
| CAS Number | 618365-74-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
AF-399/42016971 (CAS 618365-74-5), with molecular formula C28H31N3O5 and molecular weight 489.23 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016971
Property Insights of AF-399/42016971
The XLogP value of 3.7994 indicates that AF-399/42016971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016971. Following Lipinski's Rule of Five, AF-399/42016971 has 1 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 AF-399/42016971?
The CAS number of AF-399/42016971 is 618365-74-5.
What is the molecular formula of AF-399/42016971?
The molecular formula of AF-399/42016971 is C28H31N3O5.
What is the molecular weight of AF-399/42016971?
The molecular weight of AF-399/42016971 is 489.23 g/mol.
Where can I buy AF-399/42016971?
You can request a quote for AF-399/42016971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016971?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.