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CAS 1017793-08-6 3-Ethynyl-pyridazine molecular structure lightbox
CAS RN: 1017793-08-6

3-Ethynyl-pyridazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002805
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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: ＞97%
  • 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 1017793-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1017793-08-6 / 3-ethynylpyridazine

3-ethynylpyridazine | 3-ETHYNYL-PYRIDAZINE | Pyridazine, 3-ethynyl-

Standard CAS: 1017793-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017793-08-6
Multi CAS
No
Molecular Formula
C6H4N2
Molecular Weight
104.110000
Exact Mass
104.037448
SMILES
C#CC1=NN=CC=C1
InChI
InChI=1S/C6H4N2/c1-2-6-4-3-5-7-8-6/h1,3-5H
InChIKey
HHRXJQNSDKDSKP-UHFFFAOYSA-N
Synonyms
3-ethynylpyridazine 3-ETHYNYL-PYRIDAZINE Pyridazine, 3-ethynyl- MFCD16988473 3-Ethynylpyridazine_x000D_

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.97
TPSA
25.78

LogP / Solubility

WLOGP
0.46
MLOGP
0.39
XLogP3
-0.5
Consensus LogP
0.12
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-3.03

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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