![CAS 1338543-57-9 9-Bromo-8-methoxythieno[2,3-c]quinolin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338543-57-9.gif)
CAS RN: 1338543-57-9
9-Bromo-8-methoxythieno[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.20250315 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1338543-57-9
- Purity/Analytical Methods: >99.0%
1338543-57-9 / 9-bromo-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
Basic Information
CAS
1338543-57-9
Multi CAS
No
Molecular Formula
C12H8BrNO2S
Molecular Weight
310.170000
Exact Mass
308.945910
SMILES
COC1=C(C2=C(C=C1)NC(=O)C3=C2C=CS3)Br
InChI
InChI=1S/C12H8BrNO2S/c1-16-8-3-2-7-9(10(8)13)6-4-5-17-11(6)12(15)14-7/h2-5H,1H3,(H,14,15)
InChIKey
BMQKMQDSAISGQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.2
TPSA
42.09
LogP / Solubility
WLOGP
3.51
MLOGP
3.11
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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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