CAS RN: 2194586-64-4
(R)-2-amino-2-methylhexan-1-ol HCL
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.20260315 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2194586-64-4
- Purity/Analytical Methods: >99.0%
2194586-64-4 / (2R)-2-amino-2-methylhexan-1-ol;hydrochloride
Basic Information
CAS
2194586-64-4
Multi CAS
No
Molecular Formula
C7H18ClNO
Molecular Weight
167.680000
Exact Mass
167.107692
SMILES
CCCC[C@](C)(CO)N.Cl
InChI
InChI=1S/C7H17NO.ClH/c1-3-4-5-7(2,8)6-9;/h9H,3-6,8H2,1-2H3;1H/t7-;/m1./s1
InChIKey
MPNSNLXHQFECHM-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.45
TPSA
46.25
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.32
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)
-2.81
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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