CAS RN: 20383-28-2
N,N-DIISOPROPYLBENZAMIDE
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.20250527 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20383-28-2
- Purity/Analytical Methods: >99.0%
20383-28-2 / N,N-di(propan-2-yl)benzamide
Basic Information
CAS
20383-28-2
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
CC(C)N(C(C)C)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
UYXMMJPYFKRKKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
62.88
TPSA
20.31
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.88
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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