![CAS 1229236-83-2 (4-Chloro-2-fluorophenyl)(6-chloro-2-methyl-8-(morpholinomethyl)-imidazo[1,2-b]pyridazin-3-yl)met molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1229236-83-2.gif)
CAS RN: 1229236-83-2
(4-Chloro-2-fluorophenyl)(6-chloro-2-methyl-8-(morpholinomethyl)-imidazo[1,2-b]pyridazin-3-yl)met
- Product code: SSC-026623
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1229236-83-2 / (4-chloro-2-fluorophenyl)-[6-chloro-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-3-yl]methanone
Basic Information
CAS
1229236-83-2
Multi CAS
No
Molecular Formula
C19H17Cl2FN4O2
Molecular Weight
423.300000
Exact Mass
422.071259
SMILES
CC1=C(N2C(=N1)C(=CC(=N2)Cl)CN3CCOCC3)C(=O)C4=C(C=C(C=C4)Cl)F
InChI
InChI=1S/C19H17Cl2FN4O2/c1-11-17(18(27)14-3-2-13(20)9-15(14)22)26-19(23-11)12(8-16(21)24-26)10-25-4-6-28-7-5-25/h2-3,8-9H,4-7,10H2,1H3
InChIKey
WXZUHCAKLKTCGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
103.67
TPSA
59.73
LogP / Solubility
WLOGP
3.55
MLOGP
3.15
XLogP3
3.6
Consensus LogP
3.43
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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