苯海索
TL;DR: 苯海索 (CAS 144-11-6) is a chemical compound with molecular formula C20H31NO and molecular weight 301.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯海索
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
Also Known As: trihexyphenidyl, Benzhexol, Triphenidyl, Trihexyphenidyle, Benzhexolum
| Molecular Formula | C20H31NO |
|---|---|
| Molecular Weight | 301.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.24057 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
| Melting Point | 115 |
| Solubility | Crystals; decomp at 258.5 °C; pH of 1% aq soln 5.5-6.0; solubility (g/100 mL): water at 25 °C 1.0, alcohol 6, chloroform 5; more soluble in methanol; very slightly soluble in ether, benzene /Hydrochloride/ |
Chemical Identifiers
| CAS Number | 144-11-6 |
|---|---|
| SMILES | C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O |
| InChIKey | HWHLPVGTWGOCJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯海索 (CAS 144-11-6), with molecular formula C20H31NO and molecular weight 301.24 g/mol. IUPAC: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol.
Chemical Property Profile of 苯海索
Property Insights of 苯海索
The XLogP value of 4.5 indicates that 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, 苯海索 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯海索 has 1 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 苯海索?
The CAS number of 苯海索 is 144-11-6.
What is the molecular formula of 苯海索?
The molecular formula of 苯海索 is C20H31NO.
What is the molecular weight of 苯海索?
The molecular weight of 苯海索 is 301.24 g/mol.
Where can I buy 苯海索?
You can request a quote for 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 苯海索?
Yes, KEHONG BIO provides custom synthesis services for 苯海索 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.