![CAS 142246-48-8 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole [Bifunctional Fluorescent Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c1394-jpgcontextbwfzdgvyfhjvb3r8mzgyodh8aw1hz2uvanblz3xonmyvagzklzg5mjk0ndm3nzq0otqvqzezotquanbnfda3n2m5yta4mmfmy2uzmguwmti3otywztnimzvmywu4nddkngnizjiyoge1odbhy2rjnjllzjvjyzgyngywodg.jpeg)
CAS RN: 142246-48-8
4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole [Bifunctional Fluorescent Reagent]
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-053025
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
142246-48-8 / 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride
Basic Information
CAS
142246-48-8
Multi CAS
No
Molecular Formula
C6H2Cl2N2O3S
Molecular Weight
253.060000
Exact Mass
251.916319
SMILES
C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
InChIKey
BPPRLMZEVZSIIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.85
TPSA
73.06
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
