CAS RN: 2353410-15-6
t-Boc-Aminooxy-PEG7-bromide
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.20260501 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2353410-15-6
- Purity/Analytical Methods: >99.0%
2353410-15-6 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Basic Information
CAS
2353410-15-6
Multi CAS
No
Molecular Formula
C21H42BrNO10
Molecular Weight
548.500000
Exact Mass
547.199210
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C21H42BrNO10/c1-21(2,3)33-20(24)23-32-19-18-31-17-16-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-22/h4-19H2,1-3H3,(H,23,24)
InChIKey
UGNDUVCNGCTJLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.95
Rotatable bonds
24
H-bond acceptors
10
H-bond donors
1
Molar refractivity
124.85
TPSA
112.17
LogP / Solubility
WLOGP
1.95
MLOGP
1.76
XLogP3
0.7
Consensus LogP
1.47
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble
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)
-4.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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