CAS RN: 189696-30-8
trans-2,6-Bis(tert-butyl)-4-(4-propylcyclohexyl)phenol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 1g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS189696-30-8
- Purity/Analytical Methods: >99.0%
189696-30-8 / 2,6-ditert-butyl-4-(4-propylcyclohexyl)phenol
Basic Information
CAS
189696-30-8
Multi CAS
No
Molecular Formula
C23H38O
Molecular Weight
330.500000
Exact Mass
330.292266
SMILES
CCCC1CCC(CC1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C23H38O/c1-8-9-16-10-12-17(13-11-16)18-14-19(22(2,3)4)21(24)20(15-18)23(5,6)7/h14-17,24H,8-13H2,1-7H3
InChIKey
PBEMFWGJRHQMEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
105.11
TPSA
20.23
LogP / Solubility
WLOGP
7.06
MLOGP
6.23
XLogP3
8.8
Consensus LogP
7.36
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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