CAS RN: 1788044-11-0
methyl 6-hydrazinylpyridazine-3-carboxylate dihydrochloride
- Product code: SSC-079605
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 |
1788044-11-0 / methyl 6-hydrazinylpyridazine-3-carboxylate;dihydrochloride
Basic Information
CAS
1788044-11-0
Multi CAS
No
Molecular Formula
C6H10Cl2N4O2
Molecular Weight
241.070000
Exact Mass
240.018081
SMILES
COC(=O)C1=NN=C(C=C1)NN.Cl.Cl
InChI
InChI=1S/C6H8N4O2.2ClH/c1-12-6(11)4-2-3-5(8-7)10-9-4;;/h2-3H,7H2,1H3,(H,8,10);2*1H
InChIKey
VMHDNUGTKJCALB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
55.68
TPSA
90.13
LogP / Solubility
WLOGP
0.39
MLOGP
0.35
XLogP3
0.39
Consensus LogP
0.38
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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