AF-399/42016605
TL;DR: AF-399/42016605 (CAS 618369-58-7) is a chemical compound with molecular formula C28H25N3O5 and molecular weight 483.18 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-(3-imidazol-1-ylpropyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
Also Known As: AF-399/42016605, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one, 5-[4-(allyloxy)phenyl]-4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C28H25N3O5 |
|---|---|
| Molecular Weight | 483.18 g/mol |
| LogP | 4.8627 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.1794 |
| Heavy Atoms | 36 |
| Complexity | 1400.646 |
Chemical Identifiers
| CAS Number | 618369-58-7 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
AF-399/42016605 (CAS 618369-58-7), with molecular formula C28H25N3O5 and molecular weight 483.18 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016605
Property Insights of AF-399/42016605
The XLogP value of 4.8627 indicates that AF-399/42016605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016605. Following Lipinski's Rule of Five, AF-399/42016605 has 1 hydrogen bond donor(s) and 6 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-399/42016605?
The CAS number of AF-399/42016605 is 618369-58-7.
What is the molecular formula of AF-399/42016605?
The molecular formula of AF-399/42016605 is C28H25N3O5.
What is the molecular weight of AF-399/42016605?
The molecular weight of AF-399/42016605 is 483.18 g/mol.
Where can I buy AF-399/42016605?
You can request a quote for AF-399/42016605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016605?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.