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CAS 18994-77-9 4-(PROP-2-YN-1-YLOXY)PYRIDINE molecular structure lightbox
CAS RN: 18994-77-9

4-(PROP-2-YN-1-YLOXY)PYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-088966
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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 18994-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

18994-77-9 / 1-prop-2-ynylimidazole

Standard CAS: 18994-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18994-77-9
Multi CAS
No
Molecular Formula
C6H6N2
Molecular Weight
106.130000
Exact Mass
106.053098
SMILES
C#CCN1C=CN=C1
InChI
InChI=1S/C6H6N2/c1-2-4-8-5-3-7-6-8/h1,3,5-6H,4H2
InChIKey
UGOQKSGJGCADAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.06
TPSA
17.82

LogP / Solubility

WLOGP
0.52
MLOGP
0.44
XLogP3
0.2
Consensus LogP
0.39
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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