CAS RN: 444287-49-4
2-chloro-N-{(2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl)methyl}acetamide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS444287-49-4
- Purity/Analytical Methods: >99.0%
444287-49-4 / 2-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
Basic Information
CAS
444287-49-4
Multi CAS
No
Molecular Formula
C16H14CLN3O5
Molecular Weight
363.750000
Exact Mass
363.062198
InChI
InChI=1S/C16H14ClN3O5/c17-6-12(22)18-7-8-2-1-3-9-13(8)16(25)20(15(9)24)10-4-5-11(21)19-14(10)23/h1-3,10H,4-7H2,(H,18,22)(H,19,21,23)
InChIKey
XRAYWKDMFVKUTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.68
TPSA
112.65
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.0000
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-4.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![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](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Acetamide, 2-chloro-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
- CAS RN: 444287-84-7
- Product Code: starshine_CAS444287-84-7
- Purity/Analytical method: >99.0%
-
3-(4-(aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione hydrochloride
- CAS RN: 444289-05-8
- Product Code: SSC-152441
-
3-((4-((4-butylphenyl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)phenyl)(methyl)bo
- CAS RN: 444289-55-8
- Product Code: starshine_CAS444289-55-8
- Purity/Analytical method: >99.0%
-
Benzeneethanol, 4-fluoro-alpha-methyl- (9CI)
- CAS RN: 444308-32-1
- Product Code: SSC-152445
-
(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
- CAS RN: 444311-00-6
- Product Code: SSC-152446
-
![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 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)
