![CAS 444287-84-7 Acetamide, 2-chloro-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/444287-84-7.gif)
CAS RN: 444287-84-7
Acetamide, 2-chloro-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS444287-84-7
- Purity/Analytical Methods: >99.0%
444287-84-7 / 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
Basic Information
CAS
444287-84-7
Multi CAS
No
Molecular Formula
C15H12CLN3O5
Molecular Weight
349.720000
Exact Mass
349.046548
InChI
InChI=1S/C15H12ClN3O5/c16-6-11(21)17-8-3-1-2-7-12(8)15(24)19(14(7)23)9-4-5-10(20)18-13(9)22/h1-3,9H,4-6H2,(H,17,21)(H,18,20,22)
InChIKey
SVSMQAPPCVNXQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.46
TPSA
112.65
LogP / Solubility
WLOGP
0.27
MLOGP
0.25
XLogP3
0.7
Consensus LogP
0.41
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 444311-00-6 (11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-diMethyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/444311-00-6.gif)
