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 |
1206487-35-5 / 4,6-dibromopyridazin-3-amine
4,6-DIBROMOPYRIDAZIN-3-AMINE | MFCD13689240 | SCHEMBL1576635
Basic Information
CAS
1206487-35-5
Multi CAS
Yes
Molecular Formula
C4H3Br2N3
Molecular Weight
252.890000
Exact Mass
252.867320
SMILES
C1=C(C(=NN=C1Br)N)Br
InChI
InChI=1S/C4H3Br2N3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey
ZTXKTTUTGHERSF-UHFFFAOYSA-N
Synonyms
4,6-DIBROMOPYRIDAZIN-3-AMINE
MFCD13689240
SCHEMBL1576635
SCHEMBL30812605
DTXSID40673176
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.84
TPSA
51.8
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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