CAS RN: 924964-20-5
4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS924964-20-5
- Purity/Analytical Methods: >99.0%
924964-20-5 / 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
Basic Information
CAS
924964-20-5
Multi CAS
No
Molecular Formula
C7H5CLN4O2S
Molecular Weight
244.660000
Exact Mass
243.982174
InChI
InChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
HXFGIDWWUVWVHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.65
TPSA
88.6
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
1.2
Consensus LogP
0.9
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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