CAS RN: 73250-68-7
Mefenacet
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251017 | 100mg | In stock | Inquiry |
- Product code: starshine_CAS73250-68-7
- Purity/Analytical Methods: >99.0%
73250-68-7 / 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide
Basic Information
CAS
73250-68-7
Multi CAS
Yes
Molecular Formula
C16H14N2O2S
Molecular Weight
298.400000
Exact Mass
298.077599
InChI
InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
InChIKey
XIGAUIHYSDTJHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
84.97
TPSA
42.43
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.16
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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