CAS RN: 220509-74-0
Caspase-3/7 Inhibitor I
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260330 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260112 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251031 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260306 | 5mg | Out of stock | Inquiry | ||
| Batchno.20260227 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS220509-74-0
- Purity/Analytical Methods: >99.0%
220509-74-0 / 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Basic Information
CAS
220509-74-0
Multi CAS
No
Molecular Formula
C14H16N2O5S
Molecular Weight
324.350000
Exact Mass
324.077993
SMILES
COC[C@@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=O
InChI
InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
InChIKey
SLQMNVJNDYLJSF-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.19
TPSA
92.78
LogP / Solubility
WLOGP
0.62
MLOGP
0.56
XLogP3
0.3
Consensus LogP
0.49
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
