CAS RN: 94594-81-7
(S)-(+)-(2-BUTENOYL)-2 10-CAMPHORSULTAM
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS94594-81-7
- Purity/Analytical Methods: >99.0%
94594-81-7 / 1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)but-2-en-1-one
Basic Information
CAS
94594-81-7
Multi CAS
Yes
Molecular Formula
C14H21NO3S
Molecular Weight
283.390000
Exact Mass
283.124215
InChI
InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,14-/m0/s1
InChIKey
BKPQKSSKLBTRJO-LHNOPMQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.79
TPSA
54.45
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.98
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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- CAS RN: 94608-23-8
- Product Code: starshine_CAS94608-23-8
- Purity/Analytical method: >99.0%
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