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CAS 107228-54-6 3,6-dichloro-4-ethylpyridazine molecular structure lightbox
CAS RN: 107228-54-6

3,6-dichloro-4-ethylpyridazine

  • Product code: SSC-008708
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107228-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 4 In Stock Hong Kong Inquiry
10g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry

107228-54-6 / 3,6-dichloro-4-ethylpyridazine

3,6-dichloro-4-ethylpyridazine | Pyridazine, 3,6-dichloro-4-ethyl- | MFCD17014877

Standard CAS: 107228-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107228-54-6
Multi CAS
No
Molecular Formula
C6H6Cl2N2
Molecular Weight
177.030000
Exact Mass
175.990804
SMILES
CCC1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C6H6Cl2N2/c1-2-4-3-5(7)9-10-6(4)8/h3H,2H2,1H3
InChIKey
YKUMFVUOUWBXTB-UHFFFAOYSA-N
Synonyms
3,6-dichloro-4-ethylpyridazine Pyridazine, 3,6-dichloro-4-ethyl- MFCD17014877 3,6-dichloro-4-ethyl-pyridazine EES6ZB99UC

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.43
TPSA
25.78

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.13

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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