![CAS 1229236-85-4 6-chloro-3-(4-chloro-2-fluorobenzyl)-2-Methyl-8-(Morpholin-4-ylMethyl)iMidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92611133.gif)
CAS RN: 1229236-85-4
6-chloro-3-(4-chloro-2-fluorobenzyl)-2-Methyl-8-(Morpholin-4-ylMethyl)iMidazo[1,2-b]pyridazine
- Product code: SSC-026624
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 | Shanghai | Inquiry |
1229236-85-4 / 4-[[6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methyl]morpholine
Basic Information
CAS
1229236-85-4
Multi CAS
No
Molecular Formula
C19H19Cl2FN4O
Molecular Weight
409.300000
Exact Mass
408.091995
SMILES
CC1=C(N2C(=N1)C(=CC(=N2)Cl)CN3CCOCC3)CC4=C(C=C(C=C4)Cl)F
InChI
InChI=1S/C19H19Cl2FN4O/c1-12-17(8-13-2-3-15(20)10-16(13)22)26-19(23-12)14(9-18(21)24-26)11-25-4-6-27-7-5-25/h2-3,9-10H,4-8,11H2,1H3
InChIKey
HINYAGKLTKBNMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
103.05
TPSA
42.66
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
3.8
Consensus LogP
3.72
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
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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