CAS RN: 2089388-97-4
(R)-2-Amino-2-(6-chloropyridin-3-yl)ethanol dihydrochloride
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.20260110 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR901758
2089388-97-4 / (2R)-2-amino-2-(6-chloro-3-pyridinyl)ethanol;dihydrochloride
Basic Information
CAS
2089388-97-4
Multi CAS
No
Molecular Formula
C7H11Cl3N2O
Molecular Weight
245.500000
Exact Mass
243.993696
SMILES
C1=CC(=NC=C1[C@H](CO)N)Cl.Cl.Cl
InChI
InChI=1S/C7H9ClN2O.2ClH/c8-7-2-1-5(3-10-7)6(9)4-11;;/h1-3,6,11H,4,9H2;2*1H/t6-;;/m0../s1
InChIKey
AVUNDUCVDXJOFX-ILKKLZGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.76
TPSA
59.14
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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