![CAS 1620-68-4 2,6-Bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1972-jpgcontextbwfzdgvyfhjvb3r8mzcwnzh8aw1hz2uvanblz3xomzcvadlmlzg5mjg3nje5mzc5ntavqje5nziuanbnfdjjm2uwytc4ogvmmmmxndhkmwy1mji3ogu3otgwytm3y2m4yznimtgwnjqznddmztewzdnjogqwmju2ytfkyza.jpeg)
CAS RN: 1620-68-4
2,6-Bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB1972
- Purity/Analytical Methods: >98.0%(T)
1620-68-4 / 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Basic Information
CAS
1620-68-4
Multi CAS
No
Molecular Formula
C23H24O3
Molecular Weight
348.400000
Exact Mass
348.172545
SMILES
CC1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C)O)C
InChI
InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3
InChIKey
MAQOZOILPAMFSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
104.14
TPSA
60.69
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
5.8
Consensus LogP
5.02
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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