1-Benzyl-7-fluoronaphthalene-2-carboxylic acid
TL;DR: 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid (CAS 3109-49-7) is a chemical compound with molecular formula C18H13FO2 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7-fluoronaphthalene-2-carboxylic acid
Also Known As: 5'-Palmitoyl Ara-C, 1-benzyl-7-fluoronaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylicacid, 7-fluoro-1-(phenylmethyl)-
| Molecular Formula | C18H13FO2 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08997 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 3109-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C=CC3=C2C=C(C=C3)F)C(=O)O |
| InChIKey | VGBKMOBYHDGDEI-UHFFFAOYSA-N |
Product Overview
1-Benzyl-7-fluoronaphthalene-2-carboxylic acid (CAS 3109-49-7), with molecular formula C18H13FO2 and molecular weight 280.09 g/mol. IUPAC: 1-benzyl-7-fluoronaphthalene-2-carboxylic acid.
Chemical Property Profile of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid
Property Insights of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid
The XLogP value of 4.7 indicates that 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid?
The CAS number of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid is 3109-49-7.
What is the molecular formula of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid?
The molecular formula of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid is C18H13FO2.
What is the molecular weight of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid?
The molecular weight of 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid is 280.09 g/mol.
Where can I buy 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid?
You can request a quote for 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-7-fluoronaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.