2-Fluoro-5-(hydroxymethyl)benzonitrile
TL;DR: 2-Fluoro-5-(hydroxymethyl)benzonitrile (CAS 227609-85-0) is a chemical compound with molecular formula C8H6FNO and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-5-(hydroxymethyl)benzonitrile
Also Known As: 2-fluoro-5-(hydroxymethyl)benzonitrile, 3-Cyano-4-fluorobenzyl alcohol, null, Olaparib Impurity 67, Trelagliptin Impurity 88
| Molecular Formula | C8H6FNO |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 1.18968 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04333 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 227609-85-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CO)C#N)F |
Product Overview
2-Fluoro-5-(hydroxymethyl)benzonitrile (CAS 227609-85-0), with molecular formula C8H6FNO and molecular weight 151.04 g/mol. IUPAC: 2-fluoro-5-(hydroxymethyl)benzonitrile.
Chemical Property Profile of 2-Fluoro-5-(hydroxymethyl)benzonitrile
Property Insights of 2-Fluoro-5-(hydroxymethyl)benzonitrile
The XLogP value of 1.18968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-(hydroxymethyl)benzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 2-Fluoro-5-(hydroxymethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-(hydroxymethyl)benzonitrile has 1 hydrogen bond donor(s) and 2 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 2-Fluoro-5-(hydroxymethyl)benzonitrile?
The CAS number of 2-Fluoro-5-(hydroxymethyl)benzonitrile is 227609-85-0.
What is the molecular formula of 2-Fluoro-5-(hydroxymethyl)benzonitrile?
The molecular formula of 2-Fluoro-5-(hydroxymethyl)benzonitrile is C8H6FNO.
What is the molecular weight of 2-Fluoro-5-(hydroxymethyl)benzonitrile?
The molecular weight of 2-Fluoro-5-(hydroxymethyl)benzonitrile is 151.04 g/mol.
Where can I buy 2-Fluoro-5-(hydroxymethyl)benzonitrile?
You can request a quote for 2-Fluoro-5-(hydroxymethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-(hydroxymethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-(hydroxymethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.