3-Acetoxy-6-hydroxytropane
TL;DR: 3-Acetoxy-6-hydroxytropane (CAS 54725-46-1) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate
Also Known As: 3-Acetoxy-6-hydroxytropane, 3-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octane-6-ol, 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 3-acetate, (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate, 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate #
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 54725-46-1 |
|---|---|
| SMILES | CC(=O)OC1CC2CC(C(C1)N2C)O |
| InChIKey | IQJHMKLTWPJIHO-UHFFFAOYSA-N |
Product Overview
3-Acetoxy-6-hydroxytropane (CAS 54725-46-1), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate.
Chemical Property Profile of 3-Acetoxy-6-hydroxytropane
Property Insights of 3-Acetoxy-6-hydroxytropane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-6-hydroxytropane. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Acetoxy-6-hydroxytropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-6-hydroxytropane has 1 hydrogen bond donor(s) and 4 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 3-Acetoxy-6-hydroxytropane?
The CAS number of 3-Acetoxy-6-hydroxytropane is 54725-46-1.
What is the molecular formula of 3-Acetoxy-6-hydroxytropane?
The molecular formula of 3-Acetoxy-6-hydroxytropane is C10H17NO3.
What is the molecular weight of 3-Acetoxy-6-hydroxytropane?
The molecular weight of 3-Acetoxy-6-hydroxytropane is 199.12 g/mol.
Where can I buy 3-Acetoxy-6-hydroxytropane?
You can request a quote for 3-Acetoxy-6-hydroxytropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-6-hydroxytropane?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-6-hydroxytropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.