Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-
TL;DR: Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- (CAS 104761-55-9) 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-(3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
Also Known As: Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, 2-(3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid, 2-[(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoic acid, Benzoic acid,2-[(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]-, 2-(3-fluoro5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic Acid
| 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 | 104761-55-9 |
|---|---|
| SMILES | C1CCC2=CC(=C(C=C2C1)C(=O)C3=CC=CC=C3C(=O)O)F |
| InChIKey | BNKKNCWCUWGPLO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- (CAS 104761-55-9), with molecular formula C18H15FO3 and molecular weight 298.10 g/mol. IUPAC: 2-(3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-
Property Insights of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-
The XLogP value of 4.3 indicates that Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- 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 Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-?
The CAS number of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- is 104761-55-9.
What is the molecular formula of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-?
The molecular formula of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- is C18H15FO3.
What is the molecular weight of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-?
The molecular weight of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- is 298.10 g/mol.
Where can I buy Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-?
You can request a quote for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.