Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride
TL;DR: Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride (CAS 64048-74-4) is a chemical compound with molecular formula C17H21Cl2NO2 and molecular weight 341.09 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-(3-chlorophenyl)prop-2-enoate chloride
Also Known As: 3-Tropanyl 3'-chloroatropate hydrochloride, 3'-Chloroatropic acid, 3-tropanyl ester, hydrochloride, ATROPIC ACID, 3'-CHLORO-, 3-TROPANYL ESTER, HYDROCHLORIDE, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(3-chlorophenyl)prop-2-enoate chloride, Benzeneacetic acid, 3-chloro-.alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride
| Molecular Formula | C17H21Cl2NO2 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | -0.89 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.09494 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 64048-74-4 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)C(=C)C3=CC(=CC=C3)Cl.[Cl-] |
| InChIKey | NNYJOYIOFGFCFP-UHFFFAOYSA-N |
Product Overview
Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride (CAS 64048-74-4), with molecular formula C17H21Cl2NO2 and molecular weight 341.09 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(3-chlorophenyl)prop-2-enoate chloride.
Chemical Property Profile of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride
Property Insights of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride
The XLogP value of -0.89 indicates that Atropic acid, 3'-chloro-, 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, 3'-chloro-, 3-tropanyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atropic acid, 3'-chloro-, 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, 3'-chloro-, 3-tropanyl ester, hydrochloride?
The CAS number of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride is 64048-74-4.
What is the molecular formula of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride?
The molecular formula of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride is C17H21Cl2NO2.
What is the molecular weight of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride?
The molecular weight of Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride is 341.09 g/mol.
Where can I buy Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride?
You can request a quote for Atropic acid, 3'-chloro-, 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, 3'-chloro-, 3-tropanyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.