CAS RN: 690632-55-4
N-SUCCINIMIDYLOXYCARBONYLPROPYL METHANETHIOSULFONATE
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.20260605 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS690632-55-4
- Purity/Analytical Methods: >99.0%
690632-55-4 / (2,5-dioxopyrrolidin-1-yl) 4-methylsulfonylsulfanylbutanoate
Basic Information
CAS
690632-55-4
Multi CAS
No
Molecular Formula
C9H13NO6S2
Molecular Weight
295.300000
Exact Mass
295.018429
InChI
InChI=1S/C9H13NO6S2/c1-18(14,15)17-6-2-3-9(13)16-10-7(11)4-5-8(10)12/h2-6H2,1H3
InChIKey
QBMLLSNVYXTICS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
63.71
TPSA
97.82
LogP / Solubility
WLOGP
0.07
MLOGP
0.07
XLogP3
-0.7
Consensus LogP
-0.19
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-4.47
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
1.5
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