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CAS 2271036-47-4 Pomalidomide-PEG4-azide molecular structure lightbox
CAS RN: 2271036-47-4

Pomalidomide-PEG4-azide

  • Product code: SSC-110750
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2271036-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2271036-47-4 / 4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Standard CAS: 2271036-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2271036-47-4
Multi CAS
No
Molecular Formula
C23H30N6O8
Molecular Weight
518.500000
Exact Mass
518.212512
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H30N6O8/c24-28-26-7-9-35-11-13-37-15-14-36-12-10-34-8-6-25-17-3-1-2-16-20(17)23(33)29(22(16)32)18-4-5-19(30)27-21(18)31/h1-3,18,25H,4-15H2,(H,27,30,31)
InChIKey
SMHKJRVPSDESLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
17
H-bond acceptors
10
H-bond donors
2
Molar refractivity
128.89
TPSA
181.26

LogP / Solubility

WLOGP
0.88
MLOGP
0.81
XLogP3
1.2
Consensus LogP
0.96
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-5.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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