Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride
TL;DR: Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride (CAS 64048-71-1) is a chemical compound with molecular formula C17H21BrClNO2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride
Also Known As: 3-Tropanyl 4'-bromoatropate hydrochloride, 4'-Bromoatropic acid, 3-tropanyl ester, hydrochloride, ATROPIC ACID, 4'-BROMO-, 3-TROPANYL ESTER, HYDROCHLORIDE, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride, Benzeneacetic acid, 4-bromo-.alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride
| Molecular Formula | C17H21BrClNO2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.04443 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 64048-71-1 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)Br.[Cl-] |
| InChIKey | LCIGZLBQNNATGD-UHFFFAOYSA-N |
Product Overview
Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride (CAS 64048-71-1), with molecular formula C17H21BrClNO2 and molecular weight 385.04 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride.
Chemical Property Profile of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride
Property Insights of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride
The XLogP value of -0.78 indicates that Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride?
The CAS number of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride is 64048-71-1.
What is the molecular formula of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride?
The molecular formula of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride is C17H21BrClNO2.
What is the molecular weight of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride?
The molecular weight of Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride is 385.04 g/mol.
Where can I buy Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride?
You can request a quote for Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.