![CAS 1383624-01-8 6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383624-01-8.gif)
CAS RN: 1383624-01-8
6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1383624-01-8
- Purity/Analytical Methods: >99.0%
1383624-01-8 / 6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine
Basic Information
CAS
1383624-01-8
Multi CAS
No
Molecular Formula
C14H11ClN4O2
Molecular Weight
302.710000
Exact Mass
302.057053
SMILES
CCC1=C(C=C(C=C1)C2=CN3C(=N2)C=CC(=N3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN4O2/c1-2-9-3-4-10(7-12(9)19(20)21)11-8-18-14(16-11)6-5-13(15)17-18/h3-8H,2H2,1H3
InChIKey
XDDKCUNEMDDJMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
79.47
TPSA
73.33
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.6
Consensus LogP
3.41
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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