Propyl-(2.4-dimethyl-phenyl)-carbinol
TL;DR: Propyl-(2.4-dimethyl-phenyl)-carbinol (CAS 85418-68-4) is a chemical compound with molecular formula C26H36Cl2N2O3 and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol;dihydrochloride
Also Known As: Propyl-(2.4-dimethyl-phenyl)-carbinol, 4-Dibenzofuranol, 1,2,3,4,4a,9b-hexahydro-4a-((4-(2-methoxy-2-phenylethyl)-1-piperazinyl)methyl-, dihydrochloride, 4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4, 4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol dihydrochloride, 4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol,dihydrochloride
| Molecular Formula | C26H36Cl2N2O3 |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 4.2951 |
| Topological Polar Surface Area | 45.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.2103 |
| Heavy Atoms | 33 |
| Complexity | 878.8505 |
Chemical Identifiers
| CAS Number | 85418-68-4 |
|---|---|
| SMILES | COC(CN1CCN(CC1)CC23C(CCCC2O)C4=CC=CC=C4O3)C5=CC=CC=C5.Cl.Cl |
Product Overview
Propyl-(2.4-dimethyl-phenyl)-carbinol (CAS 85418-68-4), with molecular formula C26H36Cl2N2O3 and molecular weight 494.21 g/mol. IUPAC: 4a-[[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]methyl]-2,3,4,9b-tetrahydro-1H-dibenzofuran-4-ol;dihydrochloride.
Chemical Property Profile of Propyl-(2.4-dimethyl-phenyl)-carbinol
Property Insights of Propyl-(2.4-dimethyl-phenyl)-carbinol
The XLogP value of 4.2951 indicates that Propyl-(2.4-dimethyl-phenyl)-carbinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.17 Ų, Propyl-(2.4-dimethyl-phenyl)-carbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl-(2.4-dimethyl-phenyl)-carbinol has 1 hydrogen bond donor(s) and 5 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 Propyl-(2.4-dimethyl-phenyl)-carbinol?
The CAS number of Propyl-(2.4-dimethyl-phenyl)-carbinol is 85418-68-4.
What is the molecular formula of Propyl-(2.4-dimethyl-phenyl)-carbinol?
The molecular formula of Propyl-(2.4-dimethyl-phenyl)-carbinol is C26H36Cl2N2O3.
What is the molecular weight of Propyl-(2.4-dimethyl-phenyl)-carbinol?
The molecular weight of Propyl-(2.4-dimethyl-phenyl)-carbinol is 494.21 g/mol.
Where can I buy Propyl-(2.4-dimethyl-phenyl)-carbinol?
You can request a quote for Propyl-(2.4-dimethyl-phenyl)-carbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl-(2.4-dimethyl-phenyl)-carbinol?
Yes, KEHONG BIO provides custom synthesis services for Propyl-(2.4-dimethyl-phenyl)-carbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.