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CAS RN: 1227598-86-8
[2,3′-Bipyridin]-6-ylmethanol
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.20250818 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227598-86-8
- Purity/Analytical Methods: >99.0%
1227598-86-8 / (6-pyridin-3-yl-2-pyridinyl)methanol
Basic Information
CAS
1227598-86-8
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
C1=CC(=NC(=C1)C2=CN=CC=C2)CO
InChI
InChI=1S/C11H10N2O/c14-8-10-4-1-5-11(13-10)9-3-2-6-12-7-9/h1-7,14H,8H2
InChIKey
QNZCFYCUYHXRKQ-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
53.39
TPSA
46.01
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
0.6
Consensus LogP
1.23
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
