Atropine methyl nitrate
TL;DR: Atropine methyl nitrate (CAS 52-88-0) is a chemical compound with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate nitrate
Also Known As: Atropine methyl nitrate, Harvatrate, Pylostropin, Eumidrina, Eumydrin
| Molecular Formula | C18H26N2O6 |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.17908 |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 52-88-0 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-] |
| InChIKey | NEDVJZNVOSNSHF-UHFFFAOYSA-N |
Product Overview
Atropine methyl nitrate (CAS 52-88-0), with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate nitrate.
Chemical Property Profile of Atropine methyl nitrate
Property Insights of Atropine methyl nitrate
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atropine methyl nitrate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atropine methyl nitrate. Following Lipinski's Rule of Five, Atropine methyl nitrate has 1 hydrogen bond donor(s) and 6 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 Atropine methyl nitrate?
The CAS number of Atropine methyl nitrate is 52-88-0.
What is the molecular formula of Atropine methyl nitrate?
The molecular formula of Atropine methyl nitrate is C18H26N2O6.
What is the molecular weight of Atropine methyl nitrate?
The molecular weight of Atropine methyl nitrate is 366.18 g/mol.
Where can I buy Atropine methyl nitrate?
You can request a quote for Atropine methyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine methyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for Atropine methyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.