CAS RN: 78281-61-5
2-Amino-3-benzoyl-alpha-(methylthio)benzeneacetamide
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.20250601 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS78281-61-5
- Purity/Analytical Methods: >99.0%
78281-61-5 / 2-(2-amino-3-benzoylphenyl)-2-methylsulfanylacetamide
Basic Information
CAS
78281-61-5
Multi CAS
Yes
Molecular Formula
C16H16N2O2S
Molecular Weight
300.400000
Exact Mass
300.093249
InChI
InChI=1S/C16H16N2O2S/c1-21-15(16(18)20)12-9-5-8-11(13(12)17)14(19)10-6-3-2-4-7-10/h2-9,15H,17H2,1H3,(H2,18,20)
InChIKey
FPRGALQPEHLMNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.18
TPSA
86.18
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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