![CAS 30126-05-7 THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30126-05-7.gif)
CAS RN: 30126-05-7
THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS30126-05-7
- Purity/Analytical Methods: >99.0%
30126-05-7 / thieno[3,2-b][1]benzothiole-2-carboxylic acid
Basic Information
CAS
30126-05-7
Multi CAS
Yes
Molecular Formula
C11H6O2S2
Molecular Weight
234.300000
Exact Mass
233.980922
InChI
InChI=1S/C11H6O2S2/c12-11(13)9-5-8-10(15-9)6-3-1-2-4-7(6)14-8/h1-5H,(H,12,13)
InChIKey
HJMXTNQVXZTBHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.17
TPSA
37.3
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
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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