CAS RN: 50451-84-8
5-CHLORO-3-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260106 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260302 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250711 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250803 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250519 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-157005
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 | Shanghai | Inquiry |
50451-84-8 / 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
Basic Information
CAS
50451-84-8
Multi CAS
No
Molecular Formula
C10H7CLO2S
Molecular Weight
226.680000
Exact Mass
225.985528
InChI
InChI=1S/C10H7ClO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
KEYCXZNZFABITO-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
58.53
TPSA
37.3
LogP / Solubility
WLOGP
3.56
MLOGP
3.14
XLogP3
3.8
Consensus LogP
3.5
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.57
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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