![4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile structure](/static/products/207/207680-98-6.png)
4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile
TL;DR: 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile (CAS 207680-98-6) is a chemical compound with molecular formula C15H12FNO2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile
Also Known As: Escitalopram Impurity 67, LACTODIFUCOTETRAOSE FROM HUMAN MILK, 4-[(4-fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile, 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile, 4-cyano-2-hydroxymethylphenyl-(4-fluorophenyl)methanol
| Molecular Formula | C15H12FNO2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 2.27138 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0852 |
| Heavy Atoms | 19 |
| Complexity | 617.03296 |
Chemical Identifiers
| CAS Number | 207680-98-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=C(C=C(C=C2)C#N)CO)O)F |
Product Overview
4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile (CAS 207680-98-6), with molecular formula C15H12FNO2 and molecular weight 257.09 g/mol. IUPAC: 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile.
Chemical Property Profile of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile
Property Insights of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile
The XLogP value of 2.27138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile. Following Lipinski's Rule of Five, 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile 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 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile?
The CAS number of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile is 207680-98-6.
What is the molecular formula of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile?
The molecular formula of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile is C15H12FNO2.
What is the molecular weight of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile?
The molecular weight of 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile is 257.09 g/mol.
Where can I buy 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile?
You can request a quote for 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Fluorophenyl)hydroxymethyl]-3-(hydroxymethyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.