CAS RN: 6003-05-0
L-Alanine hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: starshine_CAS6003-05-0
- Purity/Analytical Methods: >99.0%
6003-05-0 / (2S)-2-aminopropanoic acid;hydrochloride
Basic Information
CAS
6003-05-0
Multi CAS
Yes
Molecular Formula
C3H8CLNO2
Molecular Weight
125.550000
Exact Mass
125.024356
InChI
InChI=1S/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
InChIKey
ILYVXUGGBVATGA-DKWTVANSSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.53
TPSA
63.32
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.16
Consensus LogP
-0.16
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very 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)
-3.6
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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