CAS RN: 134057-48-0
2-Benzothiazolamine,5-fluoro-6-methoxy-(9CI)
- Product code: SSC-041355
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 12
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 1 In Stock | Shanghai | Inquiry |
134057-48-0 / 5-fluoro-6-methoxy-1,3-benzothiazol-2-amine
Basic Information
CAS
134057-48-0
Multi CAS
No
Molecular Formula
C8H7FN2OS
Molecular Weight
198.220000
Exact Mass
198.026312
SMILES
COC1=C(C=C2C(=C1)SC(=N2)N)F
InChI
InChI=1S/C8H7FN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKey
OIJIAORDLXFVKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.54
TPSA
48.14
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.49
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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