3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐
TL;DR: 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 (CAS 16048-43-4) is a chemical compound with molecular formula C16H21ClFNO2 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate;hydrochloride
Also Known As: 3-Tropanol, (p-fluorophenyl)acetate (ester), hydrochloride, Acetic acid, p-fluorophenyl-, 3-tropanyl ester, hydrochloride, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl(3-fluorophenyl)acetate hydrochloride(1:1), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate hydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetatehydrochloride
| Molecular Formula | C16H21ClFNO2 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.96 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12448 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 16048-43-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)F.Cl |
| InChIKey | NERXDSQWBKETME-UHFFFAOYSA-N |
Product Overview
3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 (CAS 16048-43-4), with molecular formula C16H21ClFNO2 and molecular weight 313.12 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate;hydrochloride.
Chemical Property Profile of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐
Property Insights of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐. With a topological polar surface area (TPSA) of 29.5 Ų, 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 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 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐?
The CAS number of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 is 16048-43-4.
What is the molecular formula of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐?
The molecular formula of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 is C16H21ClFNO2.
What is the molecular weight of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐?
The molecular weight of 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 is 313.12 g/mol.
Where can I buy 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐?
You can request a quote for 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3-托品醇 (对氟苯基)乙酸酯(酯)盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.