CAS RN: 92921-26-1
SULFO-SMPB
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.20250628 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS92921-26-1
- Purity/Analytical Methods: >99.0%
92921-26-1 / 1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Basic Information
CAS
92921-26-1
Multi CAS
Yes
Molecular Formula
C18H16N2O9S
Molecular Weight
436.400000
Exact Mass
436.057651
InChI
InChI=1S/C18H16N2O9S/c21-14-8-9-15(22)19(14)12-6-4-11(5-7-12)2-1-3-17(24)29-20-16(23)10-13(18(20)25)30(26,27)28/h4-9,13H,1-3,10H2,(H,26,27,28)
InChIKey
VHYRLCJMMJQUBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
98.91
TPSA
155.43
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.05
XLogP3
0.2
Consensus LogP
0.02
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-5.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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