CAS RN: 923723-76-6
2-(5-PHENYL-2H-TETRAZOL-2-YL)ETHANESULFONYL FLUORIDE
- Product code: SSC-206020
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 | Shenzhen | Inquiry |
923723-76-6 / 2-(1,3-benzothiazol-2-yl)-2,2-dichloroacetonitrile
Basic Information
CAS
923723-76-6
Multi CAS
Yes
Molecular Formula
C9H4CL2N2S
Molecular Weight
243.110000
Exact Mass
241.947225
InChI
InChI=1S/C9H4Cl2N2S/c10-9(11,5-12)8-13-6-3-1-2-4-7(6)14-8/h1-4H
InChIKey
JOUFEXYUGSESJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.62
TPSA
36.68
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.3
Consensus LogP
3.26
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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