CAS RN: 1174409-88-1
(R)-2-amino-4,4-dimethylpentan-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.20250607 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1174409-88-1
- Purity/Analytical Methods: >99.0%
1174409-88-1 / (2R)-2-amino-4,4-dimethylpentan-1-ol;hydrochloride
(R)-2-Amino-4,4-dimethylpentan-1-ol hydrochloride | (2R)-2-AMINO-4,4-DIMETHYLPENTAN-1-OL HYDROCHLORIDE | SCHEMBL15541437
Basic Information
CAS
1174409-88-1
Multi CAS
Yes
Molecular Formula
C7H18ClNO
Molecular Weight
167.680000
Exact Mass
167.107692
SMILES
CC(C)(C)C[C@H](CO)N.Cl
InChI
InChI=1S/C7H17NO.ClH/c1-7(2,3)4-6(8)5-9;/h6,9H,4-5,8H2,1-3H3;1H/t6-;/m1./s1
InChIKey
AZYSGWXZUWHXIW-FYZOBXCZSA-N
Synonyms
(R)-2-Amino-4,4-dimethylpentan-1-ol hydrochloride
(2R)-2-AMINO-4,4-DIMETHYLPENTAN-1-OL HYDROCHLORIDE
SCHEMBL15541437
MFCD24642623
CS-0499043
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.38
TPSA
46.25
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.92
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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