CAS RN: 6321-11-5
6-AMINOTHYMOL HYDROCHLORIDE
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.20250721 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6321-11-5
- Purity/Analytical Methods: >99.0%
6321-11-5 / 4-amino-5-methyl-2-propan-2-ylphenol;hydrochloride
Basic Information
CAS
6321-11-5
Multi CAS
Yes
Molecular Formula
C10H16CLNO
Molecular Weight
201.690000
Exact Mass
201.092042
InChI
InChI=1S/C10H15NO.ClH/c1-6(2)8-5-9(11)7(3)4-10(8)12;/h4-6,12H,11H2,1-3H3;1H
InChIKey
BBJYJPIOFSRDGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.59
TPSA
46.25
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.94
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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