CAS RN: 828299-84-9
Acetamide, 2-chloro-N-(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS828299-84-9
- Purity/Analytical Methods: >99.0%
828299-84-9 / 2-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
Basic Information
CAS
828299-84-9
Multi CAS
No
Molecular Formula
C11H9CLN2O3
Molecular Weight
252.650000
Exact Mass
252.030170
InChI
InChI=1S/C11H9ClN2O3/c1-14-10(16)7-3-2-6(13-9(15)5-12)4-8(7)11(14)17/h2-4H,5H2,1H3,(H,13,15)
InChIKey
NKDMKULFMVHJPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.22
TPSA
66.48
LogP / Solubility
WLOGP
1.09
MLOGP
0.97
XLogP3
0.7
Consensus LogP
0.92
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2S,3S-1-BOC-2-METHYL-PIPERIDINE-3-CARBOXYLIC ACID
- CAS RN: 828300-45-4
- Product Code: SSC-190872
-
2S,3R-1-BOC-2-METHYL-PIPERIDINE-3-CARBOXYLIC ACID
- CAS RN: 828300-51-2
- Product Code: SSC-190873
-
-
4,4′-(1E,1’E)-2,2′-(1-phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)diphenol
- CAS RN: 828911-79-1
- Product Code: SSC-190907
-
6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE
- CAS RN: 828914-68-7
- Product Code: SSC-190908
-
2,6-Bis[(4R)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine
- CAS RN: 828918-24-7
- Product Code: starshine_CAS828918-24-7
- Purity/Analytical method: >99.0%
![CAS 828914-68-7 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828914-68-7.gif)
![CAS 828918-24-7 2,6-Bis[(4R)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828918-24-7.gif)