CAS RN: 1835705-70-8
Pomalidomide-C6-PEG3-butyl iodide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS1835705-70-8
- Purity/Analytical Methods: >99.0%
1835705-70-8 / N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[2-[2-(6-iodohexoxy)ethoxy]ethoxy]hexanamide
Basic Information
CAS
1835705-70-8
Multi CAS
No
Molecular Formula
C29H40IN3O8
Molecular Weight
685.500000
Exact Mass
685.186010
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CCCCCOCCOCCOCCCCCCI
InChI
InChI=1S/C29H40IN3O8/c30-14-5-1-2-6-15-39-17-19-41-20-18-40-16-7-3-4-11-24(34)31-22-10-8-9-21-26(22)29(38)33(28(21)37)23-12-13-25(35)32-27(23)36/h8-10,23H,1-7,11-20H2,(H,31,34)(H,32,35,36)
InChIKey
QZIUVZMTAVRENH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
2
Molar refractivity
160.02
TPSA
140.34
LogP / Solubility
WLOGP
3.63
MLOGP
3.25
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid
- CAS RN: 1835705-78-6
- Product Code: SSC-084905
-
1H-Isoindole-1,3(2H)-dione, 5-nitro-2-[(trifluoromethyl)thio]-
- CAS RN: 1835716-51-2
- Product Code: SSC-084906
-
(R)-3-(tert-butyl)-4-(2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b’]difuran-8-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 1835717-07-1
- Product Code: SSC-084907
-
-
(3R,4S)-4-(2-cyclopropylethyl)-3-(methoxymethoxy)-1-(4-methoxyphenyl)azetidin-2-one
- CAS RN: 1835745-17-9
- Product Code: SSC-084913
-
![CAS 1835716-51-2 1H-Isoindole-1,3(2H)-dione, 5-nitro-2-[(trifluoromethyl)thio]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835716-51-2.gif)
![CAS 1835717-07-1 (R)-3-(tert-butyl)-4-(2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b’]difuran-8-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835717-07-1.gif)
![CAS 1835734-64-9 8-bromo-[1]benzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835734-64-9.gif)
