Tropan-3alpha-yl ferulate
TL;DR: Tropan-3alpha-yl ferulate (CAS 86702-58-1) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Tropan-3alpha-yl ferulate, 3alpha-feruloyloxytropane, 3.beta.-Feruloyloxytropane, Tropanyl 3-hydroxy-4-methoxycinnamate, N-(3-(Hexadecylamino)propyl)-D-gluconamide
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.5824 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 599.0392 |
Chemical Identifiers
| CAS Number | 86702-58-1 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC |
Product Overview
Tropan-3alpha-yl ferulate (CAS 86702-58-1), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Tropan-3alpha-yl ferulate
Property Insights of Tropan-3alpha-yl ferulate
The XLogP value of 2.5824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropan-3alpha-yl ferulate. With a topological polar surface area (TPSA) of 59.0 Ų, Tropan-3alpha-yl ferulate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropan-3alpha-yl ferulate has 1 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 Tropan-3alpha-yl ferulate?
The CAS number of Tropan-3alpha-yl ferulate is 86702-58-1.
What is the molecular formula of Tropan-3alpha-yl ferulate?
The molecular formula of Tropan-3alpha-yl ferulate is C18H23NO4.
What is the molecular weight of Tropan-3alpha-yl ferulate?
The molecular weight of Tropan-3alpha-yl ferulate is 317.16 g/mol.
Where can I buy Tropan-3alpha-yl ferulate?
You can request a quote for Tropan-3alpha-yl ferulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropan-3alpha-yl ferulate?
Yes, KEHONG BIO provides custom synthesis services for Tropan-3alpha-yl ferulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.