CAS RN: 2055042-56-1
N-(Azido-PEG3)-N-Bis-(PEG3-t-butyl ester)
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.20260615 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2055042-56-1
- Purity/Analytical Methods: >99.0%
2055042-56-1 / tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2055042-56-1
Multi CAS
No
Molecular Formula
C34H66N4O13
Molecular Weight
738.900000
Exact Mass
738.462638
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C34H66N4O13/c1-33(2,3)50-31(39)7-13-41-19-25-47-28-22-44-16-10-38(12-18-46-24-30-49-27-21-43-15-9-36-37-35)11-17-45-23-29-48-26-20-42-14-8-32(40)51-34(4,5)6/h7-30H2,1-6H3
InChIKey
GZZBWIKELRCXSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Fraction Csp3
0.94
Rotatable bonds
36
H-bond acceptors
15
Molar refractivity
188.75
TPSA
187.67
LogP / Solubility
WLOGP
3.21
MLOGP
2.89
XLogP3
1.5
Consensus LogP
2.53
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.45
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)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
N-(Azido-PEG3)-N-bis(PEG3-acid) HCl salt
- CAS RN: 2055042-57-2
- Product Code: starshine_CAS2055042-57-2
- Purity/Analytical method: >99.0%
-
N-(Amino-PEG3)-N-bis(PEG3-acid) HCl salt
- CAS RN: 2055042-59-4
- Product Code: starshine_CAS2055042-59-4
- Purity/Analytical method: >99.0%
-
-
N-(Boc-PEG3)-N-Bis-(PEG3-acid)
- CAS RN: 2055042-61-8
- Product Code: starshine_CAS2055042-61-8
- Purity/Analytical method: >99.0%
-
N-(Amino-PEG3)-N-bis(PEG3-t-butyl ester) HCl salt
- CAS RN: 2055042-62-9
- Product Code: starshine_CAS2055042-62-9
- Purity/Analytical method: >99.0%
-
