CAS RN: 176658-62-1
Ethyl 6-mercaptopyridazine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS176658-62-1
- Purity/Analytical Methods: >99.0%
176658-62-1 / ethyl 6-sulfanylidene-1H-pyridazine-3-carboxylate
Basic Information
CAS
176658-62-1
Multi CAS
No
Molecular Formula
C7H8N2O2S
Molecular Weight
184.220000
Exact Mass
184.030649
SMILES
CCOC(=O)C1=NNC(=S)C=C1
InChI
InChI=1S/C7H8N2O2S/c1-2-11-7(10)5-3-4-6(12)9-8-5/h3-4H,2H2,1H3,(H,9,12)
InChIKey
BXCGDXQXUULUOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.38
TPSA
54.98
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
0.5
Consensus LogP
0.99
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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