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CAS 2126088-18-2 (R)-2-amino-2-(5-bromopyridin-2-yl)ethanol dihydrochloride molecular structure lightbox
CAS RN: 2126088-18-2

(R)-2-amino-2-(5-bromopyridin-2-yl)ethanol dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2126088-18-2
  • Purity/Analytical Methods: >99.0%
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2126088-18-2 / (2R)-2-amino-2-(5-bromo-2-pyridinyl)ethanol;dihydrochloride

Standard CAS: 2126088-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2126088-18-2
Multi CAS
No
Molecular Formula
C7H11BrCl2N2O
Molecular Weight
289.980000
Exact Mass
287.943180
SMILES
C1=CC(=NC=C1Br)[C@H](CO)N.Cl.Cl
InChI
InChI=1S/C7H9BrN2O.2ClH/c8-5-1-2-7(10-3-5)6(9)4-11;;/h1-3,6,11H,4,9H2;2*1H/t6-;;/m0../s1
InChIKey
OISCRERGYJWDJN-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
60.45
TPSA
59.14

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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