3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate
TL;DR: 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate (CAS 15620-25-4) is a chemical compound with molecular formula C28H33NO5 and molecular weight 463.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(1R,5S)-8-methyl-3-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Also Known As: 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate, 1-alpha-H,5-alpha-H-Tropane, 3-alpha-((5,6,7,12-tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)-, fumarate (1:1)
| Molecular Formula | C28H33NO5 |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | 4.6183 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.23587 |
| Heavy Atoms | 34 |
| Complexity | 971.0969 |
Chemical Identifiers
| CAS Number | 15620-25-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate (CAS 15620-25-4), with molecular formula C28H33NO5 and molecular weight 463.24 g/mol. IUPAC: (E)-but-2-enedioic acid;(1R,5S)-8-methyl-3-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyloxy)-8-azabicyclo[3.2.1]octane.
Chemical Property Profile of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate
Property Insights of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate
The XLogP value of 4.6183 indicates that 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate. Following Lipinski's Rule of Five, 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate has 2 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-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate?
The CAS number of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate is 15620-25-4.
What is the molecular formula of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate?
The molecular formula of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate is C28H33NO5.
What is the molecular weight of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate?
The molecular weight of 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate is 463.24 g/mol.
Where can I buy 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate?
You can request a quote for 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3-alpha-((5,6,7,12-Tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.