CAS RN: 58020-43-2
1-(2-chloro-4-hydroxyphenyl)-tert-butylaminoethanol
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.20250807 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58020-43-2
- Purity/Analytical Methods: >99.0%
58020-43-2 / 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol
Basic Information
CAS
58020-43-2
Multi CAS
Yes
Molecular Formula
C12H18CLNO2
Molecular Weight
243.730000
Exact Mass
243.102607
InChI
InChI=1S/C12H18ClNO2/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13/h4-6,11,14-16H,7H2,1-3H3
InChIKey
LIXBJWRFCNRAPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
65.83
TPSA
52.49
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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