Hexahydrodifenidol
TL;DR: Hexahydrodifenidol (CAS 113010-69-8) is a chemical compound with molecular formula C21H33NO and molecular weight 315.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol
Also Known As: Hexahydrodifenidol, Hexahydro-diphenidol, Hexahydrodiphenidol, 1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol, CAS_113010-69-8
| Molecular Formula | C21H33NO |
|---|---|
| Molecular Weight | 315.26 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.25623 |
| Heavy Atoms | 23 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 113010-69-8 |
|---|---|
| SMILES | C1CCC(CC1)C(CCCN2CCCCC2)(C3=CC=CC=C3)O |
| InChIKey | ILHSFCNKNNNPRN-UHFFFAOYSA-N |
Product Overview
Hexahydrodifenidol (CAS 113010-69-8), with molecular formula C21H33NO and molecular weight 315.26 g/mol. IUPAC: 1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol.
Chemical Property Profile of Hexahydrodifenidol
Property Insights of Hexahydrodifenidol
The XLogP value of 4.8 indicates that Hexahydrodifenidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Hexahydrodifenidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydrodifenidol 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 Hexahydrodifenidol?
The CAS number of Hexahydrodifenidol is 113010-69-8.
What is the molecular formula of Hexahydrodifenidol?
The molecular formula of Hexahydrodifenidol is C21H33NO.
What is the molecular weight of Hexahydrodifenidol?
The molecular weight of Hexahydrodifenidol is 315.26 g/mol.
Where can I buy Hexahydrodifenidol?
You can request a quote for Hexahydrodifenidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydrodifenidol?
Yes, KEHONG BIO provides custom synthesis services for Hexahydrodifenidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.