![CAS 74458-89-2 Benzo[b]thiophen-4(5H)-one, 2-acetyl-6,7-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74458-89-2.gif)
CAS RN: 74458-89-2
Benzo[b]thiophen-4(5H)-one, 2-acetyl-6,7-dihydro-
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.20250713 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74458-89-2
- Purity/Analytical Methods: >99.0%
74458-89-2 / 2-acetyl-6,7-dihydro-5H-1-benzothiophen-4-one
Basic Information
CAS
74458-89-2
Multi CAS
No
Molecular Formula
C10H10O2S
Molecular Weight
194.250000
Exact Mass
194.040151
InChI
InChI=1S/C10H10O2S/c1-6(11)10-5-7-8(12)3-2-4-9(7)13-10/h5H,2-4H2,1H3
InChIKey
DZXNEBPTWWTEQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.59
TPSA
34.14
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.15
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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