AF-399/42048016
TL;DR: AF-399/42048016 (CAS 620118-87-8) is a chemical compound with molecular formula C26H27NO6 and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/42048016, 1-(furan-2-ylmethyl)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one, 1-(2-furylmethyl)-3-hydroxy-5-[3-(isopentyloxy)phenyl]-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(furan-2-ylmethyl)-3-hydroxy-5-[3-(3-methylbutoxy)phenyl]-4-[(5-methylfuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H27NO6 |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 5.38442 |
| Topological Polar Surface Area | 93.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.18384 |
| Heavy Atoms | 33 |
| Complexity | 1171.1259 |
Chemical Identifiers
| CAS Number | 620118-87-8 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OCCC(C)C)CC4=CC=CO4)O |
Product Overview
AF-399/42048016 (CAS 620118-87-8), with molecular formula C26H27NO6 and molecular weight 449.18 g/mol. IUPAC: 1-(furan-2-ylmethyl)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42048016
Property Insights of AF-399/42048016
The XLogP value of 5.38442 indicates that AF-399/42048016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42048016. Following Lipinski's Rule of Five, AF-399/42048016 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42048016?
The CAS number of AF-399/42048016 is 620118-87-8.
What is the molecular formula of AF-399/42048016?
The molecular formula of AF-399/42048016 is C26H27NO6.
What is the molecular weight of AF-399/42048016?
The molecular weight of AF-399/42048016 is 449.18 g/mol.
Where can I buy AF-399/42048016?
You can request a quote for AF-399/42048016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42048016?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42048016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.