F0535-0631
TL;DR: F0535-0631 (CAS 449765-67-7) is a chemical compound with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylbutan-1-one
Also Known As: F0535-0631, 1-(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenylbutan-1-one, 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenylbutan-1-one, 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylbutan-1-one, 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-butan-1-one
| Molecular Formula | C28H30N2O6 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 5.3106 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.2104 |
| Heavy Atoms | 36 |
| Complexity | 1212.7145 |
Chemical Identifiers
| CAS Number | 449765-67-7 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC |
Product Overview
F0535-0631 (CAS 449765-67-7), with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol. IUPAC: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylbutan-1-one.
Chemical Property Profile of F0535-0631
Property Insights of F0535-0631
The XLogP value of 5.3106 indicates that F0535-0631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F0535-0631. Following Lipinski's Rule of Five, F0535-0631 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0535-0631?
The CAS number of F0535-0631 is 449765-67-7.
What is the molecular formula of F0535-0631?
The molecular formula of F0535-0631 is C28H30N2O6.
What is the molecular weight of F0535-0631?
The molecular weight of F0535-0631 is 490.21 g/mol.
Where can I buy F0535-0631?
You can request a quote for F0535-0631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0535-0631?
Yes, KEHONG BIO provides custom synthesis services for F0535-0631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.