![CAS 889939-46-2 7-CHLORO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889939-46-2.gif)
CAS RN: 889939-46-2
7-CHLORO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYL CHLORIDE
- Product code: SSC-200726
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 | Beijing | Inquiry |
889939-46-2 / 6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
Basic Information
CAS
889939-46-2
Multi CAS
No
Molecular Formula
C8H6CL2O4S
Molecular Weight
269.100000
Exact Mass
267.936385
InChI
InChI=1S/C8H6Cl2O4S/c9-5-3-6-7(14-2-1-13-6)4-8(5)15(10,11)12/h3-4H,1-2H2
InChIKey
JRUIKHSXGKKVTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.48
TPSA
52.6
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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