CAS RN: 92765-75-8
2-(1,3-DIOXOLAN-2-YL)-6-METHYLPYRIDINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS92765-75-8
- Purity/Analytical Methods: >99.0%
92765-75-8 / 2-(1,3-dioxolan-2-yl)-6-methylpyridine
Basic Information
CAS
92765-75-8
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)9-11-5-6-12-9/h2-4,9H,5-6H2,1H3
InChIKey
BRLNLMMLCNZBNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.62
TPSA
31.35
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
0.7
Consensus LogP
1.13
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.71
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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