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CAS RN: 1422540-98-4
Azido-PEG4-4-nitrophenyl carbonate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1422540-98-4
- Purity/Analytical Methods: >99.0%
1422540-98-4 / 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl (4-nitrophenyl) carbonate
Basic Information
CAS
1422540-98-4
Multi CAS
No
Molecular Formula
C15H20N4O8
Molecular Weight
384.340000
Exact Mass
384.128114
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H20N4O8/c16-18-17-5-6-23-7-8-24-9-10-25-11-12-26-15(20)27-14-3-1-13(2-4-14)19(21)22/h1-4H,5-12H2
InChIKey
NEBKYWFZPUXXJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
14
H-bond acceptors
9
Molar refractivity
91.54
TPSA
155.12
LogP / Solubility
WLOGP
2.47
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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