![CAS 2170747-01-8 2′-(Methylsulfonyl)-7′,8′-dihydro-6’H-spiro[cyclohexane-1,9′-pyrazino[1′,2′:1,5]pyrrolo[2,3-d]pyrimidin]-6′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170747-01-8.png)
CAS RN: 2170747-01-8
2′-(Methylsulfonyl)-7′,8′-dihydro-6’H-spiro[cyclohexane-1,9′-pyrazino[1′,2′:1,5]pyrrolo[2,3-d]pyrimidin]-6′-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260503 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2170747-01-8
- Purity/Analytical Methods: >99.0%
2170747-01-8 / 4-methylsulfonylspiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
Basic Information
CAS
2170747-01-8
Multi CAS
No
Molecular Formula
C15H18N4O3S
Molecular Weight
334.400000
Exact Mass
334.109962
SMILES
CS(=O)(=O)C1=NC=C2C=C3C(=O)NCC4(N3C2=N1)CCCCC4
InChI
InChI=1S/C15H18N4O3S/c1-23(21,22)14-16-8-10-7-11-13(20)17-9-15(5-3-2-4-6-15)19(11)12(10)18-14/h7-8H,2-6,9H2,1H3,(H,17,20)
InChIKey
FDAWWCDPKPAZSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.03
TPSA
93.95
LogP / Solubility
WLOGP
1.24
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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![CAS 2170788-44-8 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde-2F molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170788-44-8.png)
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