CAS RN: 2093388-21-5
Pomalidomide Related Compound 9 Triflate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS2093388-21-5
- Purity/Analytical Methods: >99.0%
2093388-21-5 / 4-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Basic Information
CAS
2093388-21-5
Multi CAS
No
Molecular Formula
C18H19F3N4O6
Molecular Weight
444.400000
Exact Mass
444.125669
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C16H18N4O4.C2HF3O2/c17-7-2-8-18-10-4-1-3-9-13(10)16(24)20(15(9)23)11-5-6-12(21)19-14(11)22;3-2(4,5)1(6)7/h1,3-4,11,18H,2,5-8,17H2,(H,19,21,22);(H,6,7)
InChIKey
CXJOOJWPJSYHKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
98.97
TPSA
158.9
LogP / Solubility
WLOGP
0.48
MLOGP
0.45
XLogP3
0.48
Consensus LogP
0.47
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
PROTAC BET degrader-2
- CAS RN: 2093388-33-9
- Product Code: starshine_CAS2093388-33-9
- Purity/Analytical method: >99.0%
-
-
-
BETd-260
- CAS RN: 2093388-62-4
- Product Code: starshine_CAS2093388-62-4
- Purity/Analytical method: >99.0%
-
HJB-97
- CAS RN: 2093391-24-1
- Product Code: starshine_CAS2093391-24-1
- Purity/Analytical method: >99.0%
-
TC13172
- CAS RN: 2093393-05-4
- Product Code: starshine_CAS2093393-05-4
- Purity/Analytical method: >99.0%
