OCTADECYL PHENOXY BENZENE
TL;DR: OCTADECYL PHENOXY BENZENE (CAS 859671-40-2) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
Also Known As: OCTADECYL PHENOXY BENZENE, VU0520852-1, (E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(furan-2-yl)prop-2-en-1-one, F5791-1375, (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.8949 |
| Topological Polar Surface Area | 51.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 718.87286 |
Chemical Identifiers
| CAS Number | 859671-40-2 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC=CO3)OC |
Product Overview
OCTADECYL PHENOXY BENZENE (CAS 859671-40-2), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one.
Chemical Property Profile of OCTADECYL PHENOXY BENZENE
Property Insights of OCTADECYL PHENOXY BENZENE
The XLogP value of 2.8949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for OCTADECYL PHENOXY BENZENE. With a topological polar surface area (TPSA) of 51.91 Ų, OCTADECYL PHENOXY BENZENE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, OCTADECYL PHENOXY BENZENE has 0 hydrogen bond donor(s) and 4 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 OCTADECYL PHENOXY BENZENE?
The CAS number of OCTADECYL PHENOXY BENZENE is 859671-40-2.
What is the molecular formula of OCTADECYL PHENOXY BENZENE?
The molecular formula of OCTADECYL PHENOXY BENZENE is C18H19NO4.
What is the molecular weight of OCTADECYL PHENOXY BENZENE?
The molecular weight of OCTADECYL PHENOXY BENZENE is 313.13 g/mol.
Where can I buy OCTADECYL PHENOXY BENZENE?
You can request a quote for OCTADECYL PHENOXY BENZENE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OCTADECYL PHENOXY BENZENE?
Yes, KEHONG BIO provides custom synthesis services for OCTADECYL PHENOXY BENZENE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.