![CAS 1338543-46-6 9-bromo-8-methoxy-6-methylthieno[2,3-c]quinolin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338543-46-6.gif)
CAS RN: 1338543-46-6
9-bromo-8-methoxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
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.20260323 | 50mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1338543-46-6
- Purity/Analytical Methods: >99.0%
1338543-46-6 / 9-bromo-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
Basic Information
CAS
1338543-46-6
Multi CAS
No
Molecular Formula
C13H10BrNO2S
Molecular Weight
324.190000
Exact Mass
322.961560
SMILES
CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)Br)OC
InChI
InChI=1S/C13H10BrNO2S/c1-6-5-8(17-2)10(14)9-7-3-4-18-12(7)13(16)15-11(6)9/h3-5H,1-2H3,(H,15,16)
InChIKey
WAQWFUOODJILKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.94
TPSA
42.09
LogP / Solubility
WLOGP
3.82
MLOGP
3.38
XLogP3
3.5
Consensus LogP
3.57
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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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