F0535-0542
TL;DR: F0535-0542 (CAS 486451-84-7) is a chemical compound with molecular formula C27H28FNO4 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3-fluorophenyl)methanone
Also Known As: F0535-0542, 1-[(3,5-dimethylphenoxy)methyl]-2-(3-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone, [1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3-fluorophenyl)methanone
| Molecular Formula | C27H28FNO4 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 5.27834 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.20023 |
| Heavy Atoms | 33 |
| Complexity | 1156.5281 |
Chemical Identifiers
| CAS Number | 486451-84-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)F)OC)OC)C |
Product Overview
F0535-0542 (CAS 486451-84-7), with molecular formula C27H28FNO4 and molecular weight 449.20 g/mol. IUPAC: [1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of F0535-0542
Property Insights of F0535-0542
The XLogP value of 5.27834 indicates that F0535-0542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, F0535-0542 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0535-0542 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0535-0542?
The CAS number of F0535-0542 is 486451-84-7.
What is the molecular formula of F0535-0542?
The molecular formula of F0535-0542 is C27H28FNO4.
What is the molecular weight of F0535-0542?
The molecular weight of F0535-0542 is 449.20 g/mol.
Where can I buy F0535-0542?
You can request a quote for F0535-0542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0535-0542?
Yes, KEHONG BIO provides custom synthesis services for F0535-0542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.