![CAS 21815-91-8 3-Chlorobenzo[b]thiophene-2-carbonyl Chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2286-jpgcontextbwfzdgvyfhjvb3r8mzu1nth8aw1hz2uvanblz3xomwqvagiwlzg5mjk1mja5nzu5mdivqziyodyuanbnfduzodvhyzrlzdblywm3zgq2zta2zmzjmmvkotdlyzgwzwq0nti3owu4m2mzmzyzzgy2zjnimtjjnmiyzgy4njk.jpeg)
CAS RN: 21815-91-8
3-Chlorobenzo[b]thiophene-2-carbonyl Chloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-105195
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: >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 |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
21815-91-8 / 3-chloro-1-benzothiophene-2-carbonyl chloride
Basic Information
CAS
21815-91-8
Multi CAS
No
Molecular Formula
C9H4Cl2OS
Molecular Weight
231.100000
Exact Mass
229.935991
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl
InChI
InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H
InChIKey
GWKSSMDJEWPKCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.02
TPSA
17.07
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.4
Consensus LogP
3.93
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 23967-57-9 4-Chlorobenzo[b]thiophene-2-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3430-jpgcontextbwfzdgvyfhjvb3r8mzm3mjl8aw1hz2uvanblz3xomdyvagzllzg5mjk2nzy4mja1mtavqzm0mzauanbnfdq0mtkzotywnmjmmgm1zmewndy4mzq1mjyzmdnjowm2y2m4njexmji1zgqzowiznji2yza1yja3zwiwodm1odk.jpeg)
