CAS RN: 2829279-82-3
(S)-2-Amino-2-mesitylethan-1-ol 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.20260403 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2829279-82-3
- Purity/Analytical Methods: >99.0%
2829279-82-3 / (2S)-2-amino-2-(2,4,6-trimethylphenyl)ethanol;hydrochloride
Basic Information
CAS
2829279-82-3
Multi CAS
No
Molecular Formula
C11H18ClNO
Molecular Weight
215.720000
Exact Mass
215.107692
InChI
InChI=1S/C11H17NO.ClH/c1-7-4-8(2)11(9(3)5-7)10(12)6-13;/h4-5,10,13H,6,12H2,1-3H3;1H/t10-;/m1./s1
InChIKey
AXHXXVXJMKEKKF-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.92
TPSA
46.25
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.6
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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