![CAS 63675-77-4 Benzo[b]thiophene-2,3-dione, 6-Methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63675-77-4.gif)
CAS RN: 63675-77-4
Benzo[b]thiophene-2,3-dione, 6-Methoxy-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260319 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS63675-77-4
- Purity/Analytical Methods: >99.0%
63675-77-4 / 6-methoxy-1-benzothiophene-2,3-dione
Basic Information
CAS
63675-77-4
Multi CAS
No
Molecular Formula
C9H6O3S
Molecular Weight
194.210000
Exact Mass
194.003765
InChI
InChI=1S/C9H6O3S/c1-12-5-2-3-6-7(4-5)13-9(11)8(6)10/h2-4H,1H3
InChIKey
ZOHKZLZEKUEPIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.19
TPSA
43.37
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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