3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane
TL;DR: 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane (CAS 60820-69-1) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 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] 3,4,5-trimethoxybenzoate
Also Known As: 3alpha-(3,4,5-Trimethoxybenzoyloxy)tropane, 3,4,5-trimethoxytropacocaine hydrochloride, 3alpha-(3',4',5'-trimethoxybenzoyloxy)tropane, 1alphaH,5alphaH-Tropan-3alpha-yl 3,4,5-trimethoxybenzoate, (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3,4,5-trimethoxybenzoate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 60820-69-1 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | DJIVYOZJUUNZBB-PBWFPOADSA-N |
Product Overview
3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane (CAS 60820-69-1), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane
Property Insights of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane. With a topological polar surface area (TPSA) of 57.2 Ų, 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane has 0 hydrogen bond donor(s) and 6 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 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane?
The CAS number of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane is 60820-69-1.
What is the molecular formula of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane?
The molecular formula of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane is C18H25NO5.
What is the molecular weight of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane?
The molecular weight of 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane is 335.17 g/mol.
Where can I buy 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane?
You can request a quote for 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane?
Yes, KEHONG BIO provides custom synthesis services for 3alpha-(3',4',5'-Trimethoxybenzoyloxy)tropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.