5-Fluoro-2,2-dimethylchroman-4-one
TL;DR: 5-Fluoro-2,2-dimethylchroman-4-one (CAS 170960-35-7) is a chemical compound with molecular formula C11H11FO2 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2,2-dimethyl-3H-chromen-4-one
Also Known As: 5-Fluoro-2,2-dimethylchroman-4-one, 5-fluoro-2,2-dimethyl-chroman-4-one, 5-fluoro-2,2-dimethyl-3H-chromen-4-one
| Molecular Formula | C11H11FO2 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 2.5695 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.07431 |
| Heavy Atoms | 14 |
| Complexity | 396.27405 |
Chemical Identifiers
| CAS Number | 170960-35-7 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C=CC=C2F)C |
Product Overview
5-Fluoro-2,2-dimethylchroman-4-one (CAS 170960-35-7), with molecular formula C11H11FO2 and molecular weight 194.07 g/mol. IUPAC: 5-fluoro-2,2-dimethyl-3H-chromen-4-one.
Chemical Property Profile of 5-Fluoro-2,2-dimethylchroman-4-one
Property Insights of 5-Fluoro-2,2-dimethylchroman-4-one
The XLogP value of 2.5695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2,2-dimethylchroman-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Fluoro-2,2-dimethylchroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-2,2-dimethylchroman-4-one has 0 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 5-Fluoro-2,2-dimethylchroman-4-one?
The CAS number of 5-Fluoro-2,2-dimethylchroman-4-one is 170960-35-7.
What is the molecular formula of 5-Fluoro-2,2-dimethylchroman-4-one?
The molecular formula of 5-Fluoro-2,2-dimethylchroman-4-one is C11H11FO2.
What is the molecular weight of 5-Fluoro-2,2-dimethylchroman-4-one?
The molecular weight of 5-Fluoro-2,2-dimethylchroman-4-one is 194.07 g/mol.
Where can I buy 5-Fluoro-2,2-dimethylchroman-4-one?
You can request a quote for 5-Fluoro-2,2-dimethylchroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-2,2-dimethylchroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2,2-dimethylchroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.