3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
TL;DR: 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile (CAS 550997-55-2) is a chemical compound with molecular formula C17H10FNO2 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
Also Known As: 1yye, 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile, Sid 17136991, J3.787.441H
| Molecular Formula | C17H10FNO2 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 3.92878 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.06955 |
| Heavy Atoms | 21 |
| Complexity | 897.1661 |
Chemical Identifiers
| CAS Number | 550997-55-2 |
|---|---|
| SMILES | C1=CC(=CC2=C(C=C(C=C21)C3=CC(=C(C=C3)O)F)C#N)O |
Product Overview
3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile (CAS 550997-55-2), with molecular formula C17H10FNO2 and molecular weight 279.07 g/mol. IUPAC: 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
Chemical Property Profile of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
Property Insights of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
The XLogP value of 3.92878 indicates that 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile. Following Lipinski's Rule of Five, 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile has 2 hydrogen bond donor(s) and 3 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 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile?
The CAS number of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile is 550997-55-2.
What is the molecular formula of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile?
The molecular formula of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile is C17H10FNO2.
What is the molecular weight of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile?
The molecular weight of 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile is 279.07 g/mol.
Where can I buy 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile?
You can request a quote for 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.