psi-Tropine (p-chlorophenyl)acetate hydrochloride
TL;DR: psi-Tropine (p-chlorophenyl)acetate hydrochloride (CAS 18650-52-7) is a chemical compound with molecular formula C16H21Cl2NO2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate;hydrochloride
Also Known As: psi-Tropine (p-chlorophenyl)acetate hydrochloride, Tropine (p-chlorophenyl)acetate hydrochloride, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, (p-chlorophenyl)acetate (ester), hydrochloride, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate hydrochloride
| Molecular Formula | C16H21Cl2NO2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.4727 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.09494 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 18650-52-7 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CC3=CC=C(C=C3)Cl.Cl |
| InChIKey | XPMDKXYKAPDICY-WQHDNMCPSA-N |
Product Overview
psi-Tropine (p-chlorophenyl)acetate hydrochloride (CAS 18650-52-7), with molecular formula C16H21Cl2NO2 and molecular weight 329.09 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate;hydrochloride.
Chemical Property Profile of psi-Tropine (p-chlorophenyl)acetate hydrochloride
Property Insights of psi-Tropine (p-chlorophenyl)acetate hydrochloride
The XLogP value of 3.4727 indicates that psi-Tropine (p-chlorophenyl)acetate 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, psi-Tropine (p-chlorophenyl)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, psi-Tropine (p-chlorophenyl)acetate 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 psi-Tropine (p-chlorophenyl)acetate hydrochloride?
The CAS number of psi-Tropine (p-chlorophenyl)acetate hydrochloride is 18650-52-7.
What is the molecular formula of psi-Tropine (p-chlorophenyl)acetate hydrochloride?
The molecular formula of psi-Tropine (p-chlorophenyl)acetate hydrochloride is C16H21Cl2NO2.
What is the molecular weight of psi-Tropine (p-chlorophenyl)acetate hydrochloride?
The molecular weight of psi-Tropine (p-chlorophenyl)acetate hydrochloride is 329.09 g/mol.
Where can I buy psi-Tropine (p-chlorophenyl)acetate hydrochloride?
You can request a quote for psi-Tropine (p-chlorophenyl)acetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for psi-Tropine (p-chlorophenyl)acetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for psi-Tropine (p-chlorophenyl)acetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.