2-alpha-Tropine p-nitrophenylacetate, hydrochloride
TL;DR: 2-alpha-Tropine p-nitrophenylacetate, hydrochloride (CAS 2792-92-9) 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.
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-(4-nitrophenyl)acetate;hydrochloride
Also Known As: 2-alpha-Tropanyl p-nitrophenylacetate hydrochloride, 2-alpha-Tropine p-nitrophenylacetate, hydrochloride, 8-methyl-8-azabicyclo[3.2.1]oct-2-yl(4-nitrophenyl)acetatehydrochloride(1:1), (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) 2-(4-nitrophenyl)acetate hydrochloride, 8-Methyl-8-azabicyclo[3.2.1]octan-2-yl (4-nitrophenyl)acetate--hydrogen chloride (1/1)
| 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 | 428.0 |
Chemical Identifiers
| CAS Number | 2792-92-9 |
|---|---|
| SMILES | CN1C2CCC1C(CC2)OC(=O)CC3=CC=C(C=C3)[N+](=O)[O-].Cl |
| InChIKey | JWUADDDIOQNULG-UHFFFAOYSA-N |
Product Overview
2-alpha-Tropine p-nitrophenylacetate, hydrochloride (CAS 2792-92-9), with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-(4-nitrophenyl)acetate;hydrochloride.
Chemical Property Profile of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride
Property Insights of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-alpha-Tropine p-nitrophenylacetate, hydrochloride. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-alpha-Tropine p-nitrophenylacetate, hydrochloride. Following Lipinski's Rule of Five, 2-alpha-Tropine p-nitrophenylacetate, hydrochloride 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 2-alpha-Tropine p-nitrophenylacetate, hydrochloride?
The CAS number of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride is 2792-92-9.
What is the molecular formula of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride?
The molecular formula of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride is C16H21ClN2O4.
What is the molecular weight of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride?
The molecular weight of 2-alpha-Tropine p-nitrophenylacetate, hydrochloride is 340.12 g/mol.
Where can I buy 2-alpha-Tropine p-nitrophenylacetate, hydrochloride?
You can request a quote for 2-alpha-Tropine p-nitrophenylacetate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-alpha-Tropine p-nitrophenylacetate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-alpha-Tropine p-nitrophenylacetate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.