CAS RN: 2108806-15-9
(R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid 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.20250715 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2108806-15-9
- Purity/Analytical Methods: >99.0%
2108806-15-9 / (2R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid;hydrochloride
Basic Information
CAS
2108806-15-9
Multi CAS
No
Molecular Formula
C11H16ClNO3
Molecular Weight
245.700000
Exact Mass
245.081871
SMILES
CC1=CC(=CC(=C1C[C@H](C(=O)O)N)C)O.Cl
InChI
InChI=1S/C11H15NO3.ClH/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15;/h3-4,10,13H,5,12H2,1-2H3,(H,14,15);1H/t10-;/m1./s1
InChIKey
WEZPIGXFXWUCDS-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
64.14
TPSA
83.55
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.39
Consensus LogP
1.33
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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