CAS RN: 78790-76-8
3-(Benzyloxy)pyridine-4-carbonitrile
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.20260531 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78790-76-8
- Purity/Analytical Methods: >99.0%
78790-76-8 / 3-phenylmethoxypyridine-4-carbonitrile
Basic Information
CAS
78790-76-8
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
InChI
InChI=1S/C13H10N2O/c14-8-12-6-7-15-9-13(12)16-10-11-4-2-1-3-5-11/h1-7,9H,10H2
InChIKey
PNUBCWYZPDVCNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.73
TPSA
45.91
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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