盐酸苯海索
TL;DR: 盐酸苯海索 (CAS 52-49-3) is a chemical compound with molecular formula C20H32ClNO and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸苯海索
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
Also Known As: Trihexyphenidyl hydrochloride, Benzhexol hydrochloride, Artane, Parcopane, Romparkin
| Molecular Formula | C20H32ClNO |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 4.75 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.21725 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
| Solubility | >50.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 52-49-3 |
|---|---|
| SMILES | C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl |
| InChIKey | QDWJJTJNXAKQKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
盐酸苯海索 (CAS 52-49-3), with molecular formula C20H32ClNO and molecular weight 337.22 g/mol. IUPAC: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride.
Chemical Property Profile of 盐酸苯海索
Property Insights of 盐酸苯海索
The XLogP value of 4.75 indicates that 盐酸苯海索 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 盐酸苯海索 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 盐酸苯海索 has 2 hydrogen bond donor(s) and 2 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 盐酸苯海索?
The CAS number of 盐酸苯海索 is 52-49-3.
What is the molecular formula of 盐酸苯海索?
The molecular formula of 盐酸苯海索 is C20H32ClNO.
What is the molecular weight of 盐酸苯海索?
The molecular weight of 盐酸苯海索 is 337.22 g/mol.
Where can I buy 盐酸苯海索?
You can request a quote for 盐酸苯海索 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸苯海索?
Yes, KEHONG BIO provides custom synthesis services for 盐酸苯海索 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.