![CAS 1935615-20-5 Benzo[b]thiophene-2-carboxylic acid, 5-bromo-7-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935615-20-5.gif)
CAS RN: 1935615-20-5
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-7-methyl-
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.20251112 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-091191
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1935615-20-5 / 5-bromo-7-methyl-1-benzothiophene-2-carboxylic acid
Basic Information
CAS
1935615-20-5
Multi CAS
No
Molecular Formula
C10H7BrO2S
Molecular Weight
271.130000
Exact Mass
269.935010
SMILES
CC1=CC(=CC2=C1SC(=C2)C(=O)O)Br
InChI
InChI=1S/C10H7BrO2S/c1-5-2-7(11)3-6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13)
InChIKey
GBXUGOGSOJXPTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.22
TPSA
37.3
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.6
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
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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