CAS RN: 1352149-50-8
(2S,3S)-3-AMINOPENTAN-2-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.20250418 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352149-50-8
- Purity/Analytical Methods: >99.0%
1352149-50-8 / (2S,3S)-3-aminopentan-2-ol;hydrochloride
Basic Information
CAS
1352149-50-8
Multi CAS
No
Molecular Formula
C5H14ClNO
Molecular Weight
139.620000
Exact Mass
139.076392
SMILES
CC[C@@H]([C@H](C)O)N.Cl
InChI
InChI=1S/C5H13NO.ClH/c1-3-5(6)4(2)7;/h4-5,7H,3,6H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKey
KAJAIXQRKSAXTM-FHAQVOQBSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.2
TPSA
46.25
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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