CAS RN: 24833-47-4
2-benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide
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.20260219 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24833-47-4
- Purity/Analytical Methods: >99.0%
24833-47-4 / 2-benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide
Basic Information
CAS
24833-47-4
Multi CAS
No
Molecular Formula
C17H17NO3
Molecular Weight
283.320000
Exact Mass
283.120843
SMILES
CN(CCO)C(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3
InChIKey
YQOHPRYMRZWLTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.36
TPSA
57.61
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
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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