Tropic acid, 4'-bromo-, 3-tropanyl ester
TL;DR: Tropic acid, 4'-bromo-, 3-tropanyl ester (CAS 63978-22-3) is a chemical compound with molecular formula C17H22BrNO3 and molecular weight 367.0783 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) 2-(4-bromophenyl)-3-hydroxypropanoate
Also Known As: p-Bromoatropine, 3-Tropanyl 4'-bromotropate, 4'-Bromotropic acid 3-tropanyl ester, Tropic acid, 4'-bromo-, 3-tropanyl ester, 5-21-01-00239 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C17H22BrNO3 |
| Molecular Weight | 367.0783 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0783 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=C(C=C3)Br |
| InChIKey | HMXQSWAWRXDIOX-UHFFFAOYSA-N |
Chemical Property Profile of Tropic acid, 4'-bromo-, 3-tropanyl ester
Property Insights of Tropic acid, 4'-bromo-, 3-tropanyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropic acid, 4'-bromo-, 3-tropanyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Tropic acid, 4'-bromo-, 3-tropanyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropic acid, 4'-bromo-, 3-tropanyl ester 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 Tropic acid, 4'-bromo-, 3-tropanyl ester?
The CAS number of Tropic acid, 4'-bromo-, 3-tropanyl ester is 63978-22-3.
What is the molecular formula of Tropic acid, 4'-bromo-, 3-tropanyl ester?
The molecular formula of Tropic acid, 4'-bromo-, 3-tropanyl ester is C17H22BrNO3.
What is the molecular weight of Tropic acid, 4'-bromo-, 3-tropanyl ester?
The molecular weight of Tropic acid, 4'-bromo-, 3-tropanyl ester is 367.0783 g/mol.
Where can I buy Tropic acid, 4'-bromo-, 3-tropanyl ester?
You can request a quote for Tropic acid, 4'-bromo-, 3-tropanyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tropic acid, 4'-bromo-, 3-tropanyl ester?
Yes, CoreyChem provides custom synthesis services for Tropic acid, 4'-bromo-, 3-tropanyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.