CAS RN: 946-12-3
6-METHOXYBENZOTHIAZOLE-2-CARBOXAMIDE
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.20251209 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS946-12-3
- Purity/Analytical Methods: >99.0%
946-12-3 / 6-methoxy-1,3-benzothiazole-2-carboxamide
Basic Information
CAS
946-12-3
Multi CAS
Yes
Molecular Formula
C9H8N2O2S
Molecular Weight
208.240000
Exact Mass
208.030649
InChI
InChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12)
InChIKey
KIJPPCHUGXJVFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.69
TPSA
65.21
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
2
Consensus LogP
1.55
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.99
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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