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CAS 143329-86-6 (α2R,α6R)-α2,α6-Dimethyl-2,6-pyridinedimethanol molecular structure lightbox
CAS RN: 143329-86-6

(α2R,α6R)-α2,α6-Dimethyl-2,6-pyridinedimethanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS143329-86-6
  • Purity/Analytical Methods: >99.0%
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143329-86-6 / (1R)-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]ethanol

Standard CAS: 143329-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143329-86-6
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
C[C@H](C1=NC(=CC=C1)[C@@H](C)O)O
InChI
InChI=1S/C9H13NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-7,11-12H,1-2H3/t6-,7-/m1/s1
InChIKey
WLWCQBOYVAIZMF-RNFRBKRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.5
TPSA
53.35

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
Consensus LogP
0.74
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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