CAS RN: 113104-25-9
NSC228155
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260603 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250802 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250405 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260216 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250326 | 25mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20251111 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250701 | 5mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250621 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS113104-25-9
- Purity/Analytical Methods: >99.0%
113104-25-9 / 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)pyridine 1-oxide | 2-[(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio]pyridine 1-oxide | 2-((7-nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide
Basic Information
CAS
113104-25-9
Multi CAS
Yes
Molecular Formula
C11H6N4O4S
Molecular Weight
290.260000
Exact Mass
290.010976
SMILES
C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]
InChI
InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H
InChIKey
ICCFXXDUYSPKOL-UHFFFAOYSA-N
Synonyms
2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)pyridine 1-oxide
2-[(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio]pyridine 1-oxide
2-((7-nitrobenzo(c)(1,2,5)oxadiazol-4-yl)thio)pyridine 1-oxide
RefChem:909015
NSC228155
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
67.98
TPSA
109
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
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
1.5
Customers Also Viewed
-
2-Pentenoic acid, 2-methyl-4-oxo-, (E)- (9CI)
- CAS RN: 113105-24-1
- Product Code: SSC-013300
-
Tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate)
- CAS RN: 113110-58-0
- Product Code: SSC-013301
-
6-CHLORO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 113115-62-1
- Product Code: SSC-013302
-
1,3,4-Oxadiazol-2(3H)-one, 5-(4-aminophenyl)-
- CAS RN: 113118-47-1
- Product Code: SSC-013303
-
-
