AB00684399-01
TL;DR: AB00684399-01 (CAS 486427-41-2) is a chemical compound with molecular formula C26H26FNO5 and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
Also Known As: AB00684399-01, F0535-0177, 2-(2-fluorobenzoyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline, (6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone, [6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
| Molecular Formula | C26H26FNO5 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 4.6701 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1795 |
| Heavy Atoms | 33 |
| Complexity | 1132.0262 |
Chemical Identifiers
| CAS Number | 486427-41-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4F)OC)OC |
Product Overview
AB00684399-01 (CAS 486427-41-2), with molecular formula C26H26FNO5 and molecular weight 451.18 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone.
Chemical Property Profile of AB00684399-01
Property Insights of AB00684399-01
The XLogP value of 4.6701 indicates that AB00684399-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, AB00684399-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684399-01 has 0 hydrogen bond donor(s) and 5 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 AB00684399-01?
The CAS number of AB00684399-01 is 486427-41-2.
What is the molecular formula of AB00684399-01?
The molecular formula of AB00684399-01 is C26H26FNO5.
What is the molecular weight of AB00684399-01?
The molecular weight of AB00684399-01 is 451.18 g/mol.
Where can I buy AB00684399-01?
You can request a quote for AB00684399-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684399-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684399-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.