CAS RN: 85864-33-1
2′-BENZYL-2,2-DIMETHYLPROPIONANILIDE
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.20251229 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85864-33-1
- Purity/Analytical Methods: >99.0%
85864-33-1 / N-(2-benzylphenyl)-2,2-dimethylpropanamide
Basic Information
CAS
85864-33-1
Multi CAS
Yes
Molecular Formula
C18H21NO
Molecular Weight
267.400000
Exact Mass
267.162314
InChI
InChI=1S/C18H21NO/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKey
BDYMLDYIYIGVCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83.77
TPSA
29.1
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
3.9
Consensus LogP
3.97
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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