AF-399/40910461
TL;DR: AF-399/40910461 (CAS 438488-44-9) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
Also Known As: AF-399/40910461, F1094-0275, ethyl 5-hydroxy-2-methyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]naphtho[1,2-b]furan-3-carboxylate, ethyl 4-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate, ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
| Molecular Formula | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.33502 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 1304.0002 |
Chemical Identifiers
| CAS Number | 438488-44-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCC5=CC=CC=C5C4)C |
Product Overview
AF-399/40910461 (CAS 438488-44-9), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of AF-399/40910461
Property Insights of AF-399/40910461
The XLogP value of 5.33502 indicates that AF-399/40910461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40910461. Following Lipinski's Rule of Five, AF-399/40910461 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 AF-399/40910461?
The CAS number of AF-399/40910461 is 438488-44-9.
What is the molecular formula of AF-399/40910461?
The molecular formula of AF-399/40910461 is C26H25NO4.
What is the molecular weight of AF-399/40910461?
The molecular weight of AF-399/40910461 is 415.18 g/mol.
Where can I buy AF-399/40910461?
You can request a quote for AF-399/40910461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40910461?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40910461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.