CAS RN: 1427502-22-4
N-Succinimidyl 4-(Azidosulfonyl)benzoate
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.20260621 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTS0973
- Purity/Analytical Methods: >95.0%(N)
1427502-22-4 / (2,5-dioxopyrrolidin-1-yl) 4-azidosulfonylbenzoate
Basic Information
CAS
1427502-22-4
Multi CAS
No
Molecular Formula
C11H8N4O6S
Molecular Weight
324.270000
Exact Mass
324.016455
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C11H8N4O6S/c12-13-14-22(19,20)8-3-1-7(2-4-8)11(18)21-15-9(16)5-6-10(15)17/h1-4H,5-6H2
InChIKey
OTELZSYARCVFKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
69.28
TPSA
146.58
LogP / Solubility
WLOGP
0.91
MLOGP
0.81
XLogP3
1.4
Consensus LogP
1.04
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide
- CAS RN: 66065-85-8
- Product Code: SSC-175709
-
-
-
N-Succinimidyl Decanoate
- CAS RN: 22102-66-5
- Product Code: ICTD5833
- Purity/Analytical method: >97.0%(GC)
-
-
