![CAS 23967-57-9 4-Chlorobenzo[b]thiophene-2-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3430-jpgcontextbwfzdgvyfhjvb3r8mzm3mjl8aw1hz2uvanblz3xomdyvagzllzg5mjk2nzy4mja1mtavqzm0mzauanbnfdq0mtkzotywnmjmmgm1zmewndy4mzq1mjyzmdnjowm2y2m4njexmji1zgqzowiznji2yza1yja3zwiwodm1odk.jpeg)
CAS RN: 23967-57-9
4-Chlorobenzo[b]thiophene-2-carboxylic Acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-116942
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
23967-57-9 / 4-chloro-1-benzothiophene-2-carboxylic acid
Basic Information
CAS
23967-57-9
Multi CAS
No
Molecular Formula
C9H5ClO2S
Molecular Weight
212.650000
Exact Mass
211.969878
SMILES
C1=CC2=C(C=C(S2)C(=O)O)C(=C1)Cl
InChI
InChI=1S/C9H5ClO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey
IPAXPERGAMNMIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.79
TPSA
37.3
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
