CAS RN: 678150-56-6
m-PEG7-4-nitrophenyl carbonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS678150-56-6
- Purity/Analytical Methods: >99.0%
678150-56-6 / 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl (4-nitrophenyl) carbonate
Basic Information
CAS
678150-56-6
Multi CAS
No
Molecular Formula
C20H31NO11
Molecular Weight
461.500000
Exact Mass
461.189711
InChI
InChI=1S/C20H31NO11/c1-25-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-17-31-20(22)32-19-4-2-18(3-5-19)21(23)24/h2-5H,6-17H2,1H3
InChIKey
LBVAFMHNSCFAMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
20
H-bond acceptors
11
Molar refractivity
111.04
TPSA
134.05
LogP / Solubility
WLOGP
1.84
MLOGP
1.65
XLogP3
1
Consensus LogP
1.5
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23
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
2.5
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