CAS RN: 1418561-41-7
Azide-PEG7-Tos
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.20250707 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1418561-41-7
- Purity/Analytical Methods: >99.0%
1418561-41-7 / 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
1418561-41-7
Multi CAS
No
Molecular Formula
C21H35N3O9S
Molecular Weight
505.600000
Exact Mass
505.209401
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H35N3O9S/c1-20-2-4-21(5-3-20)34(25,26)33-19-18-32-17-16-31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-23-24-22/h2-5H,6-19H2,1H3
InChIKey
UELWUEFVUUJRLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
23
H-bond acceptors
10
Molar refractivity
123.24
TPSA
147.51
LogP / Solubility
WLOGP
2.11
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
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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