AB00684441-01
TL;DR: AB00684441-01 (CAS 850905-92-9) is a chemical compound with molecular formula C25H23FN2O3 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
Also Known As: AB00684441-01, 2-((2-(4-fluorobenzyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy)-N-(m-tolyl)acetamide, F0556-0316, 2-({2-[(4-fluorophenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)-N-(3-methylphenyl)acetamide, 2-[[2-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
| Molecular Formula | C25H23FN2O3 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 4.35012 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16928 |
| Heavy Atoms | 31 |
| Complexity | 1112.0049 |
Chemical Identifiers
| CAS Number | 850905-92-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)F |
Product Overview
AB00684441-01 (CAS 850905-92-9), with molecular formula C25H23FN2O3 and molecular weight 418.17 g/mol. IUPAC: 2-[[2-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00684441-01
Property Insights of AB00684441-01
The XLogP value of 4.35012 indicates that AB00684441-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00684441-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684441-01 has 1 hydrogen bond donor(s) and 3 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 AB00684441-01?
The CAS number of AB00684441-01 is 850905-92-9.
What is the molecular formula of AB00684441-01?
The molecular formula of AB00684441-01 is C25H23FN2O3.
What is the molecular weight of AB00684441-01?
The molecular weight of AB00684441-01 is 418.17 g/mol.
Where can I buy AB00684441-01?
You can request a quote for AB00684441-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684441-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684441-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.