Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester
TL;DR: Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester (CAS 114636-22-5) is a chemical compound with molecular formula C19H17FO3 and molecular weight 312.11618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate
Also Known As: Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester, methyl 2-(3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate, methyl 2-[(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoate, 7-(chloromethyl)-10-fluoro-12-methyl-1,2,3,4-tetrahydrotetraphene, Benzoic acid,2-[(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]-, methyl ester
Technical Specifications
| Molecular Formula | C19H17FO3 |
| Molecular Weight | 312.11618 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.11618 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C2=C(C=C3CCCCC3=C2)F |
| InChIKey | JYPRVOSKJFLUBP-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester
Property Insights of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester
The XLogP value of 4.6 indicates that Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester 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)-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester?
The CAS number of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester is 114636-22-5.
What is the molecular formula of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester is C19H17FO3.
What is the molecular weight of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester is 312.11618 g/mol.
Where can I buy Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-((3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.