CAS RN: 1258939-38-6
N-Boc-N-bis(PEG3-azide)
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.20260216 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1258939-38-6
- Purity/Analytical Methods: >99.0%
1258939-38-6 / tert-butyl N,N-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1258939-38-6
Multi CAS
No
Molecular Formula
C21H41N7O8
Molecular Weight
519.600000
Exact Mass
519.301661
SMILES
CC(C)(C)OC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H41N7O8/c1-21(2,3)36-20(29)28(6-10-32-14-18-34-16-12-30-8-4-24-26-22)7-11-33-15-19-35-17-13-31-9-5-25-27-23/h4-19H2,1-3H3
InChIKey
QFOPRIUYDMJUNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.95
Rotatable bonds
24
H-bond acceptors
10
Molar refractivity
130.75
TPSA
182.44
LogP / Solubility
WLOGP
2.94
MLOGP
2.63
XLogP3
2
Consensus LogP
2.52
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.36
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
Yes
Log Kp (skin permeation)
-3.8
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
4
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