CAS RN: 86770-70-9
Benzyl-PEG3-N3
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.20251221 | 100mg / 250mg / 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86770-70-9
- Purity/Analytical Methods: >99.0%
86770-70-9 / 2-[2-(2-azidoethoxy)ethoxy]ethoxymethylbenzene
Basic Information
CAS
86770-70-9
Multi CAS
No
Molecular Formula
C13H19N3O3
Molecular Weight
265.310000
Exact Mass
265.142641
InChI
InChI=1S/C13H19N3O3/c14-16-15-6-7-17-8-9-18-10-11-19-12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKey
ZGMYORWWBWOCLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
71.75
TPSA
76.45
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
