CAS RN: 1462289-23-1
4-(4-amino-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
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.20260506 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1462289-23-1
- Purity/Analytical Methods: >99.0%
1462289-23-1 / 1-(1,1-dioxothian-4-yl)pyrazol-4-amine
Basic Information
CAS
1462289-23-1
Multi CAS
No
Molecular Formula
C8H13N3O2S
Molecular Weight
215.280000
Exact Mass
215.072848
SMILES
C1CS(=O)(=O)CCC1N2C=C(C=N2)N
InChI
InChI=1S/C8H13N3O2S/c9-7-5-10-11(6-7)8-1-3-14(12,13)4-2-8/h5-6,8H,1-4,9H2
InChIKey
YXIRDEKWTZAIKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.56
TPSA
77.98
LogP / Solubility
WLOGP
0.21
MLOGP
0.19
XLogP3
-0.6
Consensus LogP
-0.07
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.88
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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![CAS 1462383-16-9 tert-Butyl 4,7-diazaspiro[2.5]octane-7-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1462383-16-9.gif)
