CAS RN: 2194563-82-9
Azido-PEG4-nitrile
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: starshine_CAS2194563-82-9
- Purity/Analytical Methods: >99.0%
2194563-82-9 / 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanenitrile
Basic Information
CAS
2194563-82-9
Multi CAS
No
Molecular Formula
C11H20N4O4
Molecular Weight
272.300000
Exact Mass
272.148455
SMILES
C(COCCOCCOCCOCCN=[N+]=[N-])C#N
InChI
InChI=1S/C11H20N4O4/c12-2-1-4-16-6-8-18-10-11-19-9-7-17-5-3-14-15-13/h1,3-11H2
InChIKey
GCUNQSAEBVDFRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
67.52
TPSA
109.47
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
0.2
Consensus LogP
0.87
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.17
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
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
Customers Also Viewed
-
Methyltetrazine-PEG4-NH-Boc
- CAS RN: 2194563-84-1
- Product Code: starshine_CAS2194563-84-1
- Purity/Analytical method: >99.0%
-
(R)-2-amino-2-methylhexan-1-ol HCL
- CAS RN: 2194586-64-4
- Product Code: starshine_CAS2194586-64-4
- Purity/Analytical method: >99.0%
-
(R)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
- CAS RN: 2194590-02-6
- Product Code: starshine_CAS2194590-02-6
- Purity/Analytical method: >99.0%
-
H3B-120
- CAS RN: 2194903-42-7
- Product Code: starshine_CAS2194903-42-7
- Purity/Analytical method: >99.0%
-
-
5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde
- CAS RN: 2195343-69-0
- Product Code: starshine_CAS2195343-69-0
- Purity/Analytical method: >99.0%
![CAS 2195343-69-0 5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195343-69-0.png)