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CAS 917910-75-9 5-((4-Methoxybenzyl)oxy)picolinonitrile molecular structure lightbox
CAS RN: 917910-75-9

5-((4-Methoxybenzyl)oxy)picolinonitrile

  • Product code: SSC-205230
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 917910-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

917910-75-9 / 5-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile

Standard CAS: 917910-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917910-75-9
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
InChI
InChI=1S/C14H12N2O2/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(8-15)16-9-14/h2-7,9H,10H2,1H3
InChIKey
FCACZKVBHNYEOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
66.28
TPSA
55.14

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.38

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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