![CAS 1699015-26-3 1-(benzo[d]thiazol-2-yl)cyclopropane-1-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1699015-26-3.gif)
CAS RN: 1699015-26-3
1-(benzo[d]thiazol-2-yl)cyclopropane-1-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1699015-26-3
- Purity/Analytical Methods: >99.0%
1699015-26-3 / 1-(1,3-benzothiazol-2-yl)cyclopropane-1-carbonitrile
Basic Information
CAS
1699015-26-3
Multi CAS
No
Molecular Formula
C11H8N2S
Molecular Weight
200.260000
Exact Mass
200.040819
SMILES
C1CC1(C#N)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H8N2S/c12-7-11(5-6-11)10-13-8-3-1-2-4-9(8)14-10/h1-4H,5-6H2
InChIKey
XYTVIWNRWFXXSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.15
TPSA
36.68
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.92
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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