硝酸阿托品
TL;DR: 硝酸阿托品 (CAS 7459-97-4) is a chemical compound with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸阿托品
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitric acid
Also Known As: Atropine nitrate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate; nitric acid, Nitric acid--8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate (1/1), 231-242-7, EINECS 231-242-7
| Molecular Formula | C17H24N2O6 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.16342 |
| Heavy Atoms | 25 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 7459-97-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[N+](=O)(O)[O-] |
| InChIKey | MJYHSOCPRKVNKH-UHFFFAOYSA-N |
Product Overview
硝酸阿托品 (CAS 7459-97-4), with molecular formula C17H24N2O6 and molecular weight 352.16 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitric acid.
Chemical Property Profile of 硝酸阿托品
Property Insights of 硝酸阿托品
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸阿托品. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸阿托品. Following Lipinski's Rule of Five, 硝酸阿托品 has 2 hydrogen bond donor(s) and 7 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 硝酸阿托品?
The CAS number of 硝酸阿托品 is 7459-97-4.
What is the molecular formula of 硝酸阿托品?
The molecular formula of 硝酸阿托品 is C17H24N2O6.
What is the molecular weight of 硝酸阿托品?
The molecular weight of 硝酸阿托品 is 352.16 g/mol.
Where can I buy 硝酸阿托品?
You can request a quote for 硝酸阿托品 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸阿托品?
Yes, KEHONG BIO provides custom synthesis services for 硝酸阿托品 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.