CAS RN: 2182-78-7
4-(Benzothiazol-2-yl)benzoic 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.20260525 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-105222
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2182-78-7 / 4-(1,3-benzothiazol-2-yl)benzoic acid
Basic Information
CAS
2182-78-7
Multi CAS
No
Molecular Formula
C14H9NO2S
Molecular Weight
255.290000
Exact Mass
255.035400
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C14H9NO2S/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
InChIKey
PZLVNQBPCDMJFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.02
TPSA
50.19
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
3.8
Consensus LogP
3.56
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.68
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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