3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐
TL;DR: 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 (CAS 16048-42-3) is a chemical compound with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-nitrophenyl)acetate;hydrochloride
Also Known As: 3-Tropanol, (m-nitrophenyl)acetate (ester), hydrochloride, Acetic acid, (m-nitrophenyl)-, tropan-3-yl ester, hydrochloride, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl(3-nitrophenyl)acetatehydrochloride(1:1), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-nitrophenyl)acetate hydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-nitrophenyl)acetatehydrochloride
| Molecular Formula | C16H21ClN2O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.119 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 16048-42-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)[N+](=O)[O-].Cl |
| InChIKey | IUOCCQBOYUPCOU-UHFFFAOYSA-N |
Product Overview
3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 (CAS 16048-42-3), with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-nitrophenyl)acetate;hydrochloride.
Chemical Property Profile of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐
Property Insights of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐. Following Lipinski's Rule of Five, 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 has 1 hydrogen bond donor(s) and 5 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 (间硝基苯基)乙酸酯(酯)盐酸盐?
The CAS number of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 is 16048-42-3.
What is the molecular formula of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐?
The molecular formula of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 is C16H21ClN2O4.
What is the molecular weight of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐?
The molecular weight of 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 is 340.12 g/mol.
Where can I buy 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐?
You can request a quote for 3-托品醇 (间硝基苯基)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 (间硝基苯基)乙酸酯(酯)盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3-托品醇 (间硝基苯基)乙酸酯(酯)盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.