4-Fluoro-1,2-benzenediol
TL;DR: 4-Fluoro-1,2-benzenediol (CAS 4140-71-0) is a chemical compound with molecular formula C6H5FO2 and molecular weight 128.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzene-1,2-diol
Also Known As: 4-Fluorocatechol, 4-fluorobenzene-1,2-diol, 4-Fluoropyrocatechol, 3-Fluorocatechol, 4whq
| Molecular Formula | C6H5FO2 |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.02736 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 4140-71-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)O)O |
| InChIKey | NFWGQJUHSAGJBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-1,2-benzenediol (CAS 4140-71-0), with molecular formula C6H5FO2 and molecular weight 128.03 g/mol. IUPAC: 4-fluorobenzene-1,2-diol.
Chemical Property Profile of 4-Fluoro-1,2-benzenediol
Property Insights of 4-Fluoro-1,2-benzenediol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-1,2-benzenediol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Fluoro-1,2-benzenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-1,2-benzenediol 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-Fluoro-1,2-benzenediol?
The CAS number of 4-Fluoro-1,2-benzenediol is 4140-71-0.
What is the molecular formula of 4-Fluoro-1,2-benzenediol?
The molecular formula of 4-Fluoro-1,2-benzenediol is C6H5FO2.
What is the molecular weight of 4-Fluoro-1,2-benzenediol?
The molecular weight of 4-Fluoro-1,2-benzenediol is 128.03 g/mol.
Where can I buy 4-Fluoro-1,2-benzenediol?
You can request a quote for 4-Fluoro-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.