CAS RN: 181531-14-6
(R)-(+)-1-(2,4,6-Triisopropylphenyl)ethanol
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.20260213 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS181531-14-6
- Purity/Analytical Methods: >99.0%
181531-14-6 / (1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethanol
Basic Information
CAS
181531-14-6
Multi CAS
No
Molecular Formula
C17H28O
Molecular Weight
248.400000
Exact Mass
248.214016
SMILES
C[C@H](C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)O
InChI
InChI=1S/C17H28O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-13,18H,1-7H3/t13-/m1/s1
InChIKey
VYKPQIIFUMKNLF-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.34
TPSA
20.23
LogP / Solubility
WLOGP
5.11
MLOGP
4.5
XLogP3
4.8
Consensus LogP
4.8
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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