CAS RN: 71224-95-8
7-Benzothiazolecarboxylicacid,2-amino-(6CI,9CI)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251222 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS71224-95-8
- Purity/Analytical Methods: >99.0%
71224-95-8 / 2-amino-1,3-benzothiazole-7-carboxylic acid
Basic Information
CAS
71224-95-8
Multi CAS
No
Molecular Formula
C8H6N2O2S
Molecular Weight
194.210000
Exact Mass
194.014999
InChI
InChI=1S/C8H6N2O2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChIKey
VTUAYVWUPOHGAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.99
TPSA
76.21
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 71254-67-6 7-METHOXY-1,1-DIOXO-1,4-DIHYDRO-2H-1LAMBDA6-BENZO[1,2,4]THIADIAZIN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71254-67-6.gif)
