CAS RN: 2231249-10-6
(S)-2-amino-3-hydroxy-3-methylbutanoicacid
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.20250328 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2231249-10-6
- Purity/Analytical Methods: >99.0%
2231249-10-6 / (2S)-2-amino-3-hydroxy-3-methylbutanoic acid;hydrochloride
Basic Information
CAS
2231249-10-6
Multi CAS
No
Molecular Formula
C5H12ClNO3
Molecular Weight
169.610000
Exact Mass
169.050571
SMILES
CC(C)([C@@H](C(=O)O)N)O.Cl
InChI
InChI=1S/C5H11NO3.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H/t3-;/m1./s1
InChIKey
JWMNLDPWYMQUBU-AENDTGMFSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.16
TPSA
83.55
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.41
Consensus LogP
-0.39
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
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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