CAS RN: 90916-29-3
N-Allyloxycarbonyl-2-nitrobenzenesulfonamide
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-203630
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
90916-29-3 / prop-2-enyl N-(2-nitrophenyl)sulfonylcarbamate
Basic Information
CAS
90916-29-3
Multi CAS
No
Molecular Formula
C10H10N2O6S
Molecular Weight
286.260000
Exact Mass
286.025957
InChI
InChI=1S/C10H10N2O6S/c1-2-7-18-10(13)11-19(16,17)9-6-4-3-5-8(9)12(14)15/h2-6H,1,7H2,(H,11,13)
InChIKey
CRGOQFIAULBODK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
64.96
TPSA
115.61
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.7
Consensus LogP
1.32
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
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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