3-Tropanyl 4'-methyltropate
TL;DR: 3-Tropanyl 4'-methyltropate (CAS 63978-26-7) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-(4-methylphenyl)propanoate
Also Known As: 3-Tropanyl 4'-methyltropate, 4'-Methyltropic acid 3-tropanyl ester, Tropic acid, 4'-methyl-, 3-tropanyl ester, 5-21-01-00239 (Beilstein Handbook Reference), 3-hydroxy-2-p-tolyl-propionic acid tropan-3-yl ester
Technical Specifications
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.18344 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.18344 Da |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
| SMILES | CC1=CC=C(C=C1)C(CO)C(=O)OC2CC3CCC(C2)N3C |
| InChIKey | XFKXNUIIWKUVFV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Tropanyl 4'-methyltropate
Property Insights of 3-Tropanyl 4'-methyltropate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tropanyl 4'-methyltropate. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Tropanyl 4'-methyltropate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tropanyl 4'-methyltropate 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
What is the CAS number of 3-Tropanyl 4'-methyltropate?
The CAS number of 3-Tropanyl 4'-methyltropate is 63978-26-7.
What is the molecular formula of 3-Tropanyl 4'-methyltropate?
The molecular formula of 3-Tropanyl 4'-methyltropate is C18H25NO3.
What is the molecular weight of 3-Tropanyl 4'-methyltropate?
The molecular weight of 3-Tropanyl 4'-methyltropate is 303.18344 g/mol.
Where can I buy 3-Tropanyl 4'-methyltropate?
You can request a quote for 3-Tropanyl 4'-methyltropate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Tropanyl 4'-methyltropate?
Yes, CoreyChem provides custom synthesis services for 3-Tropanyl 4'-methyltropate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.