CAS RN: 256479-09-1
3,6,9,12-Tetraoxatetradecan-1-ol, 14-(4-nitrophenoxy)-
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.20250615 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS256479-09-1
- Purity/Analytical Methods: >99.0%
256479-09-1 / 2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
256479-09-1
Multi CAS
No
Molecular Formula
C16H25NO8
Molecular Weight
359.370000
Exact Mass
359.158017
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCOCCOCCOCCOCCO
InChI
InChI=1S/C16H25NO8/c18-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-16-3-1-15(2-4-16)17(19)20/h1-4,18H,5-14H2
InChIKey
TWJFLAYNIVHGLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
1
Molar refractivity
88.95
TPSA
109.52
LogP / Solubility
WLOGP
1.03
MLOGP
0.93
XLogP3
0.4
Consensus LogP
0.79
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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