CAS RN: 1286755-08-5
4H-5-Thia-1,6a-diaza-pentalene-3-carboxylic acid
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.20250519 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1286755-08-5
- Purity/Analytical Methods: >99.0%
1286755-08-5 / 4,6-dihydropyrazolo[1,5-c][1,3]thiazole-3-carboxylic acid
Basic Information
CAS
1286755-08-5
Multi CAS
No
Molecular Formula
C6H6N2O2S
Molecular Weight
170.190000
Exact Mass
170.014999
SMILES
C1C2=C(C=NN2CS1)C(=O)O
InChI
InChI=1S/C6H6N2O2S/c9-6(10)4-1-7-8-3-11-2-5(4)8/h1H,2-3H2,(H,9,10)
InChIKey
ADPLJMZMWRFKFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.48
TPSA
55.12
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
Consensus LogP
0.49
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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