CAS RN: 133736-94-4
L-ISOLEUCINOL 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.20250314 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS133736-94-4
- Purity/Analytical Methods: >99.0%
133736-94-4 / (2S,3S)-2-amino-3-methylpentan-1-ol;hydrochloride
Basic Information
CAS
133736-94-4
Multi CAS
No
Molecular Formula
C6H16ClNO
Molecular Weight
153.650000
Exact Mass
153.092042
SMILES
CC[C@H](C)[C@@H](CO)N.Cl
InChI
InChI=1S/C6H15NO.ClH/c1-3-5(2)6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t5-,6+;/m0./s1
InChIKey
RAEHCGJWYOKYTE-RIHPBJNCSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.76
TPSA
46.25
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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