CAS RN: 86030-08-2
4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 100mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250623 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250321 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260102 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250616 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260401 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-194814
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
86030-08-2 / 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
Basic Information
CAS
86030-08-2
Multi CAS
Yes
Molecular Formula
C12H8CLNO4S
Molecular Weight
297.710000
Exact Mass
296.986257
InChI
InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
InChIKey
VZDUQPHKUBZMLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
70
TPSA
77.28
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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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