Tropine isobutyrate
TL;DR: Tropine isobutyrate (CAS 495-80-7) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate
Also Known As: Tropine isobutyrate, Butropine, Iisobutyroyl tropine, 3a-isobutyryloxytropane, 3.alpha.-Isobutyroxytropane
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 1.8108 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 238.00667 |
Chemical Identifiers
| CAS Number | 495-80-7 |
|---|---|
| SMILES | CC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C |
Product Overview
Tropine isobutyrate (CAS 495-80-7), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate.
Chemical Property Profile of Tropine isobutyrate
Property Insights of Tropine isobutyrate
The XLogP value of 1.8108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropine isobutyrate. With a topological polar surface area (TPSA) of 29.54 Ų, Tropine isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine isobutyrate 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 Tropine isobutyrate?
The CAS number of Tropine isobutyrate is 495-80-7.
What is the molecular formula of Tropine isobutyrate?
The molecular formula of Tropine isobutyrate is C12H21NO2.
What is the molecular weight of Tropine isobutyrate?
The molecular weight of Tropine isobutyrate is 211.16 g/mol.
Where can I buy Tropine isobutyrate?
You can request a quote for Tropine isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Tropine isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.