Spasman combination
TL;DR: Spasman combination (CAS 79173-11-8) is a chemical compound with molecular formula C37H54Cl2N2O and molecular weight 612.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine;dihydrochloride
Also Known As: Spasman combination, 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine;dihydrochloride, 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochloride, mixt. with N-methyl-N-(2-phenylethyl)benzeneethanamine hydrochloride, 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol--N-methyl-2-phenyl-N-(2-phenylethyl)ethan-1-amine--hydrogen chloride (1/1/2), 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol; N-methyl-N-phenethyl-2-phenylethanamine; dihydrochloride
| Molecular Formula | C37H54Cl2N2O |
|---|---|
| Molecular Weight | 612.36 g/mol |
| LogP | 8.5777 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 612.3613 |
| Heavy Atoms | 42 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 79173-11-8 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2.C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl.Cl |
| InChIKey | FYGIHRWGHJTILE-UHFFFAOYSA-N |
Product Overview
Spasman combination (CAS 79173-11-8), with molecular formula C37H54Cl2N2O and molecular weight 612.36 g/mol. IUPAC: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine;dihydrochloride.
Chemical Property Profile of Spasman combination
Property Insights of Spasman combination
The XLogP value of 8.5777 indicates that Spasman combination is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, Spasman combination exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spasman combination has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spasman combination?
The CAS number of Spasman combination is 79173-11-8.
What is the molecular formula of Spasman combination?
The molecular formula of Spasman combination is C37H54Cl2N2O.
What is the molecular weight of Spasman combination?
The molecular weight of Spasman combination is 612.36 g/mol.
Where can I buy Spasman combination?
You can request a quote for Spasman combination directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spasman combination?
Yes, KEHONG BIO provides custom synthesis services for Spasman combination and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.