Apoatropine hydrochloride
TL;DR: Apoatropine hydrochloride (CAS 5978-81-4) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate;hydrochloride
Also Known As: Apoatropine HCl, Apoatropine hydrochloride, Apoatropine hydrochloride, 99%, Atropine EP Impurity A (HCl salt), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate;hydrochloride
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 5978-81-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3.Cl |
| InChIKey | RALAARQREFCZJO-UHFFFAOYSA-N |
Product Overview
Apoatropine hydrochloride (CAS 5978-81-4), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate;hydrochloride.
Chemical Property Profile of Apoatropine hydrochloride
Property Insights of Apoatropine hydrochloride
The XLogP value of 3.29 indicates that Apoatropine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Apoatropine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apoatropine 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 Apoatropine hydrochloride?
The CAS number of Apoatropine hydrochloride is 5978-81-4.
What is the molecular formula of Apoatropine hydrochloride?
The molecular formula of Apoatropine hydrochloride is C17H22ClNO2.
What is the molecular weight of Apoatropine hydrochloride?
The molecular weight of Apoatropine hydrochloride is 307.13 g/mol.
Where can I buy Apoatropine hydrochloride?
You can request a quote for Apoatropine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apoatropine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Apoatropine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.