F0535-0905
TL;DR: F0535-0905 (CAS 449766-36-3) is a chemical compound with molecular formula C26H33NO6 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: F0535-0905, ethyl 4-((6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate, Ethyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, ethyl 4-[[(1S)-6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, ethyl 4-{[6,7-dimethoxy-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
| Molecular Formula | C26H33NO6 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 4.4314 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.23077 |
| Heavy Atoms | 33 |
| Complexity | 969.49255 |
Chemical Identifiers
| CAS Number | 449766-36-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CC(C)C)OC)OC |
Product Overview
F0535-0905 (CAS 449766-36-3), with molecular formula C26H33NO6 and molecular weight 455.23 g/mol. IUPAC: ethyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of F0535-0905
Property Insights of F0535-0905
The XLogP value of 4.4314 indicates that F0535-0905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for F0535-0905. Following Lipinski's Rule of Five, F0535-0905 has 0 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 F0535-0905?
The CAS number of F0535-0905 is 449766-36-3.
What is the molecular formula of F0535-0905?
The molecular formula of F0535-0905 is C26H33NO6.
What is the molecular weight of F0535-0905?
The molecular weight of F0535-0905 is 455.23 g/mol.
Where can I buy F0535-0905?
You can request a quote for F0535-0905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0535-0905?
Yes, KEHONG BIO provides custom synthesis services for F0535-0905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.