CAS RN: 2514-30-9
2 – (4 – Methylphenyl) – 1,2 – benzisothiazol – 3(2H)-one
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.20250805 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2514-30-9
- Purity/Analytical Methods: >99.0%
2514-30-9 / 2-(4-methylphenyl)-1,2-benzothiazol-3-one
Basic Information
CAS
2514-30-9
Multi CAS
No
Molecular Formula
C14H11NOS
Molecular Weight
241.310000
Exact Mass
241.056135
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
InChIKey
KRXMYBAZKJBJAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.16
TPSA
22
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.81
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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- Product Code: starshine_CAS25144-04-1
- Purity/Analytical method: >99.0%
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