Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
TL;DR: Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester (CAS 498558-69-3) is a chemical compound with molecular formula C15H18FNO2 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
Also Known As: 3-(p-fluorobenzoyloxy)tropane, 4-fluorotropacocaine, Tropine 4-fluorobenzoate, p-FBT, Pseudotropine 4-Fluorobenzoate
| Molecular Formula | C15H18FNO2 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 2.6077 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.13217 |
| Heavy Atoms | 19 |
| Complexity | 459.53885 |
Chemical Identifiers
| CAS Number | 498558-69-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)F |
Product Overview
Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester (CAS 498558-69-3), with molecular formula C15H18FNO2 and molecular weight 263.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
Property Insights of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
The XLogP value of 2.6077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester has 0 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 Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester?
The CAS number of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester is 498558-69-3.
What is the molecular formula of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester?
The molecular formula of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester is C15H18FNO2.
What is the molecular weight of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester?
The molecular weight of Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester is 263.13 g/mol.
Where can I buy Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester?
You can request a quote for Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.