CAS RN: 74462-02-5
1,1-BIS(4-HYDROXYPHENYL)-2-ETHYLHEXANE
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.20260410 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS74462-02-5
- Purity/Analytical Methods: >99.0%
74462-02-5 / 4-[2-ethyl-1-(4-hydroxyphenyl)hexyl]phenol
Basic Information
CAS
74462-02-5
Multi CAS
Yes
Molecular Formula
C20H26O2
Molecular Weight
298.400000
Exact Mass
298.193280
InChI
InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3
InChIKey
XXHIPRDUAVCXHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.36
TPSA
40.46
LogP / Solubility
WLOGP
5.45
MLOGP
4.8
XLogP3
6.4
Consensus LogP
5.55
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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