![CAS 91797-84-1 2,2-Dimethyl-N-[(1R)-1-Phenylethyl]Propanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91797-84-1.gif)
CAS RN: 91797-84-1
2,2-Dimethyl-N-[(1R)-1-Phenylethyl]Propanamide
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.20251119 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91797-84-1
- Purity/Analytical Methods: >99.0%
91797-84-1 / 2,2-dimethyl-N-(1-phenylethyl)propanamide
Basic Information
CAS
91797-84-1
Multi CAS
Yes
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
InChI
InChI=1S/C13H19NO/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m1/s1
InChIKey
HBBKPRZFGXDWHG-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.45
TPSA
29.1
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.8
Consensus LogP
2.76
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
1-chloro-8-iodonaphthalene
- CAS RN: 91799-71-2
- Product Code: starshine_CAS91799-71-2
- Purity/Analytical method: >99.0%
-
-
Benzothiazole, 5-phenyl- (7CI)
- CAS RN: 91804-56-7
- Product Code: starshine_CAS91804-56-7
- Purity/Analytical method: >99.0%
-
-
