Methylatropine
TL;DR: Methylatropine (CAS 68686-62-4) is a chemical compound with molecular formula C18H26NO3+ and molecular weight 304.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: Methylatropine, (1R,3R,5S)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium, (3-endo)-3-[(2S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane, (1beta,3alpha,5beta)-3-[[(S)-3-Hydroxy-1-oxo-2-phenylpropyl]oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane, (1R,5S)-3alpha-[(S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
| Molecular Formula | C18H26NO3+ |
|---|---|
| Molecular Weight | 304.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.19125 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 68686-62-4 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3)C |
| InChIKey | PIPAJLPNWZMYQA-FCLJQHQZSA-N |
Product Overview
Methylatropine (CAS 68686-62-4), with molecular formula C18H26NO3+ and molecular weight 304.19 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Methylatropine
Property Insights of Methylatropine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylatropine. With a topological polar surface area (TPSA) of 46.5 Ų, Methylatropine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylatropine has 1 hydrogen bond donor(s) and 3 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 Methylatropine?
The CAS number of Methylatropine is 68686-62-4.
What is the molecular formula of Methylatropine?
The molecular formula of Methylatropine is C18H26NO3+.
What is the molecular weight of Methylatropine?
The molecular weight of Methylatropine is 304.19 g/mol.
Where can I buy Methylatropine?
You can request a quote for Methylatropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylatropine?
Yes, KEHONG BIO provides custom synthesis services for Methylatropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.