![CAS 1005785-78-3 6-phenylimidazo[1,2-b]pyridazin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1005785-78-3.gif)
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 | Shenzhen | Inquiry |
1005785-78-3 / 6-phenylimidazo[1,2-b]pyridazin-2-amine
6-phenylimidazo[1,2-b]pyridazin-2-amine | SCHEMBL3263422 | MFCD17779307
Basic Information
CAS
1005785-78-3
Multi CAS
No
Molecular Formula
C12H10N4
Molecular Weight
210.230000
Exact Mass
210.090546
SMILES
C1=CC=C(C=C1)C2=NN3C=C(N=C3C=C2)N
InChI
InChI=1S/C12H10N4/c13-11-8-16-12(14-11)7-6-10(15-16)9-4-2-1-3-5-9/h1-8H,13H2
InChIKey
ULCWGSAOOXZHSK-UHFFFAOYSA-N
Synonyms
6-phenylimidazo[1,2-b]pyridazin-2-amine
SCHEMBL3263422
MFCD17779307
SY354959
DB-058461
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.84
TPSA
56.21
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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