CAS RN: 81377-14-2
4-CHLORO-7-SULFOBENZOFURAZAN AMMONIUM SALT
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.20260421 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81377-14-2
- Purity/Analytical Methods: >99.0%
81377-14-2 / azanium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate
Basic Information
CAS
81377-14-2
Multi CAS
Yes
Molecular Formula
C6H6CLN3O4S
Molecular Weight
251.650000
Exact Mass
250.976755
InChI
InChI=1S/C6H3ClN2O4S.H3N/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6;/h1-2H,(H,10,11,12);1H3
InChIKey
QFHXPBLOMHGYOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
50.76
TPSA
132.62
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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