3,6-Ditigloyloxytropane
TL;DR: 3,6-Ditigloyloxytropane (CAS 47295-99-8) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,5R,6S)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Also Known As: 3,6-Ditigloyloxytropane, Fast Corinth V Salt, 2-Butenoic acid, 2-methyl-, 8-methyl-8-azabicyclo(3.2.1)octane-3,6-diyl ester, (1alpha,3beta(E),5alpha,6alpha,(E))-
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.6089 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 535.13965 |
Chemical Identifiers
| CAS Number | 47295-99-8 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)OC(=O)/C(=C/C)/C |
Product Overview
3,6-Ditigloyloxytropane (CAS 47295-99-8), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: [(1S,3R,5R,6S)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 3,6-Ditigloyloxytropane
Property Insights of 3,6-Ditigloyloxytropane
The XLogP value of 2.6089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Ditigloyloxytropane. With a topological polar surface area (TPSA) of 55.84 Ų, 3,6-Ditigloyloxytropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Ditigloyloxytropane has 0 hydrogen bond donor(s) and 5 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 3,6-Ditigloyloxytropane?
The CAS number of 3,6-Ditigloyloxytropane is 47295-99-8.
What is the molecular formula of 3,6-Ditigloyloxytropane?
The molecular formula of 3,6-Ditigloyloxytropane is C18H27NO4.
What is the molecular weight of 3,6-Ditigloyloxytropane?
The molecular weight of 3,6-Ditigloyloxytropane is 321.19 g/mol.
Where can I buy 3,6-Ditigloyloxytropane?
You can request a quote for 3,6-Ditigloyloxytropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Ditigloyloxytropane?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Ditigloyloxytropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.