CAS RN: 89667-15-2

3-PyridineMethanol, alpha-3-pyridinyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89667-15-2
  • Purity/Analytical Methods: >99.0%
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89667-15-2 / dipyridin-3-ylmethanol

Standard CAS: 89667-15-2 Multi CAS: No

Basic Information

CAS
89667-15-2
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
InChI
InChI=1S/C11H10N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8,11,14H
InChIKey
DCDJTQNGTXDZGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.54
TPSA
46.01

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
0.6
Consensus LogP
1.18
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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