Tropacine
TL;DR: Tropacine (CAS 6878-98-4) is a chemical compound with molecular formula C22H25NO2 and molecular weight 335.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,2-diphenylacetate
Also Known As: Tropacine, Tropacin, Diphenyltropine, Tropine diphenylacetate, (Diphenylacetyl)atropine
| Molecular Formula | C22H25NO2 |
|---|---|
| Molecular Weight | 335.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.18854 |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 6878-98-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | IUTYUDPWXQZWTH-YOFSQIOKSA-N |
Product Overview
Tropacine (CAS 6878-98-4), with molecular formula C22H25NO2 and molecular weight 335.19 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,2-diphenylacetate.
Chemical Property Profile of Tropacine
Property Insights of Tropacine
The XLogP value of 4.2 indicates that Tropacine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Tropacine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropacine has 0 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 Tropacine?
The CAS number of Tropacine is 6878-98-4.
What is the molecular formula of Tropacine?
The molecular formula of Tropacine is C22H25NO2.
What is the molecular weight of Tropacine?
The molecular weight of Tropacine is 335.19 g/mol.
Where can I buy Tropacine?
You can request a quote for Tropacine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropacine?
Yes, KEHONG BIO provides custom synthesis services for Tropacine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.