CAS RN: 6073-20-7
2-Amino-4-(1,1,3,3-tetramethylbutyl)phenol
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.20250226 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6073-20-7
- Purity/Analytical Methods: >99.0%
6073-20-7 / 2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol
Basic Information
CAS
6073-20-7
Multi CAS
Yes
Molecular Formula
C14H23NO
Molecular Weight
221.340000
Exact Mass
221.177964
InChI
InChI=1S/C14H23NO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9,15H2,1-5H3
InChIKey
BESJCRMQEYZHPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.62
TPSA
46.25
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
4.2
Consensus LogP
3.71
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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