6-Fluorovanillin
TL;DR: 6-Fluorovanillin (CAS 79418-77-2) is a chemical compound with molecular formula C8H7FO3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-hydroxy-5-methoxybenzaldehyde
Also Known As: 6-Fluorovanillin, 2-Fluoro-4-hydroxy-5-methoxybenzaldehyde, Benzaldehyde, 2-fluoro-4-hydroxy-5-methoxy-, 2-fluoro-4-hydroxy-5-methoxy-benzaldehyde, 2-Fluoro-4-hydroxy-5-methoxybenzaldehyde #
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 79418-77-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=O)F)O |
| InChIKey | DDEFOLHFKVPOFE-UHFFFAOYSA-N |
Product Overview
6-Fluorovanillin (CAS 79418-77-2), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: 2-fluoro-4-hydroxy-5-methoxybenzaldehyde.
Chemical Property Profile of 6-Fluorovanillin
Property Insights of 6-Fluorovanillin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluorovanillin. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Fluorovanillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluorovanillin has 1 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 6-Fluorovanillin?
The CAS number of 6-Fluorovanillin is 79418-77-2.
What is the molecular formula of 6-Fluorovanillin?
The molecular formula of 6-Fluorovanillin is C8H7FO3.
What is the molecular weight of 6-Fluorovanillin?
The molecular weight of 6-Fluorovanillin is 170.04 g/mol.
Where can I buy 6-Fluorovanillin?
You can request a quote for 6-Fluorovanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluorovanillin?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluorovanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.