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CAS 107228-51-3 3,6-dichloro-4-isopropylpyridazine molecular structure lightbox
CAS RN: 107228-51-3

3,6-dichloro-4-isopropylpyridazine

  • Product code: SSC-008706
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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: 0.25g, 1g, 5g
  • 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 107228-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

107228-51-3 / 3,6-dichloro-4-propan-2-ylpyridazine

3,6-DICHLORO-4-ISOPROPYLPYRIDAZINE | MFCD18250571 | 3,6-dichloro-4-propan-2-ylpyridazine

Standard CAS: 107228-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107228-51-3
Multi CAS
No
Molecular Formula
C7H8Cl2N2
Molecular Weight
191.050000
Exact Mass
190.006454
SMILES
CC(C)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3
InChIKey
JRZDBBCBIQEJLA-UHFFFAOYSA-N
Synonyms
3,6-DICHLORO-4-ISOPROPYLPYRIDAZINE MFCD18250571 3,6-dichloro-4-propan-2-ylpyridazine Pyridazine, 3,6-dichloro-4-(1-methylethyl)- 3,6-dichloro-4-isopropyl-pyridazine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.14
TPSA
25.78

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.82

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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