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CAS 204067-34-5 2-Pyridineacetonitrile,5-methoxy-(9CI) molecular structure lightbox
CAS RN: 204067-34-5

2-Pyridineacetonitrile,5-methoxy-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-096015
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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 204067-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

204067-34-5 / 2-(5-methoxy-2-pyridinyl)acetonitrile

Standard CAS: 204067-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204067-34-5
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
COC1=CN=C(C=C1)CC#N
InChI
InChI=1S/C8H8N2O/c1-11-8-3-2-7(4-5-9)10-6-8/h2-3,6H,4H2,1H3
InChIKey
QAYAOQFXJDGJCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.11
TPSA
45.91

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.8

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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