CAS RN: 6937-52-6
4-Methyl-N,N-bis(1-methylethyl)benzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6937-52-6
- Purity/Analytical Methods: >99.0%
6937-52-6 / 4-methyl-N,N-di(propan-2-yl)benzamide
Basic Information
CAS
6937-52-6
Multi CAS
Yes
Molecular Formula
C14H21NO
Molecular Weight
219.320000
Exact Mass
219.162314
InChI
InChI=1S/C14H21NO/c1-10(2)15(11(3)4)14(16)13-8-6-12(5)7-9-13/h6-11H,1-5H3
InChIKey
QVMNBKJQKYNCHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
67.62
TPSA
20.31
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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