CAS RN: 17498-50-9
L-Valine 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.20250710 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS17498-50-9
- Purity/Analytical Methods: >99.0%
17498-50-9 / (2S)-2-amino-3-methylbutanoic acid;hydrochloride
Basic Information
CAS
17498-50-9
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
CC(C)[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChIKey
JETBVOLWZWPMKR-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.7
TPSA
63.32
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.32
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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- Purity/Analytical method: >99.0%
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