2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid
TL;DR: 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid (CAS 104761-50-4) is a chemical compound with molecular formula C18H15FO3 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid
Also Known As: 2-(4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid, 2-[(4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoic acid, 4-bromo-5,6,7,8-tetrahydronaphthalen-1-amine Hydrochloride, Benzoic acid, 2-((4-fluoro-5,6,7,8-tetrahydro-1-naphthalenyl)carbonyl)-, Benzoic acid,2-[(4-fluoro-5,6,7,8-tetrahydro-1-naphthalenyl)carbonyl]-
| Molecular Formula | C18H15FO3 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.10052 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 104761-50-4 |
|---|---|
| SMILES | C1CCC2=C(C=CC(=C2C1)C(=O)C3=CC=CC=C3C(=O)O)F |
| InChIKey | AXYNVIFBEYDQAB-UHFFFAOYSA-N |
Product Overview
2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid (CAS 104761-50-4), with molecular formula C18H15FO3 and molecular weight 298.10 g/mol. IUPAC: 2-(4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid.
Chemical Property Profile of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid
Property Insights of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid
The XLogP value of 4.3 indicates that 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid 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 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid?
The CAS number of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid is 104761-50-4.
What is the molecular formula of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid?
The molecular formula of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid is C18H15FO3.
What is the molecular weight of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid?
The molecular weight of 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid is 298.10 g/mol.
Where can I buy 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid?
You can request a quote for 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.