![CAS 1680191-38-1 Ethyl 2-chlorobenzo[d]thiazole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1680191-38-1.gif)
CAS RN: 1680191-38-1
Ethyl 2-chlorobenzo[d]thiazole-5-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-073277
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1680191-38-1 / ethyl 2-chloro-1,3-benzothiazole-5-carboxylate
Basic Information
CAS
1680191-38-1
Multi CAS
No
Molecular Formula
C10H8ClNO2S
Molecular Weight
241.690000
Exact Mass
240.996427
SMILES
CCOC(=O)C1=CC2=C(C=C1)SC(=N2)Cl
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-8-7(5-6)12-10(11)15-8/h3-5H,2H2,1H3
InChIKey
KCFAMALYDWEQDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.59
TPSA
39.19
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.6
Consensus LogP
3.16
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.97
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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