CAS RN: 4273-88-5
2-ACETOACETAMIDO-6-ETHOXYBENZOTHIAZOLE
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.20250228 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4273-88-5
- Purity/Analytical Methods: >99.0%
4273-88-5 / N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide
Basic Information
CAS
4273-88-5
Multi CAS
Yes
Molecular Formula
C13H14N2O3S
Molecular Weight
278.330000
Exact Mass
278.072513
InChI
InChI=1S/C13H14N2O3S/c1-3-18-9-4-5-10-11(7-9)19-13(14-10)15-12(17)6-8(2)16/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)
InChIKey
GXFGVXXEQKKDGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.72
TPSA
68.29
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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