4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)
TL;DR: 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) (CAS 201855-55-2) is a chemical compound with molecular formula C26H28FNO4S and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methanol;4-methylbenzenesulfonic acid
Also Known As: 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1), [1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methanol; 4-methylbenzenesulfonic Acid, 4-Methylbenzene-1-sulfonic acid--[1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methanol (1/1)
| Molecular Formula | C26H28FNO4S |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 4.57512 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.1723 |
| Heavy Atoms | 33 |
| Complexity | 1161.1785 |
Chemical Identifiers
| CAS Number | 201855-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1C=C(C(CN1CC2=CC=CC=C2)CO)C3=CC=C(C=C3)F |
Product Overview
4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) (CAS 201855-55-2), with molecular formula C26H28FNO4S and molecular weight 469.17 g/mol. IUPAC: [1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methanol;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)
Property Insights of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)
The XLogP value of 4.57512 indicates that 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) has 2 hydrogen bond donor(s) and 4 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 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)?
The CAS number of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) is 201855-55-2.
What is the molecular formula of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)?
The molecular formula of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) is C26H28FNO4S.
What is the molecular weight of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)?
The molecular weight of 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) is 469.17 g/mol.
Where can I buy 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)?
You can request a quote for 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-(phenylmethyl)-3-pyridinemethanol 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.