CAS RN: 2055041-27-3
t-Boc-Aminooxy-PEG7-methane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250203 |
1g |
Out of stock |
15 business days | Inquiry |
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Product code:
starshine_CAS2055041-27-3
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Purity/Analytical Methods:
>99.0%
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2055041-27-3 / tert-butyl N-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Standard CAS: 2055041-27-3
Multi CAS: No
Basic Information
CAS
2055041-27-3
Multi CAS
No
Molecular Formula
C20H41NO10
Molecular Weight
455.500000
Exact Mass
455.273047
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOC
InChI
InChI=1S/C20H41NO10/c1-20(2,3)31-19(22)21-30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-25-8-7-24-6-5-23-4/h5-18H2,1-4H3,(H,21,22)
InChIKey
IHBBQGFKPNMZRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.95
Rotatable bonds
22
H-bond acceptors
10
H-bond donors
1
Molar refractivity
112.11
TPSA
112.17
LogP / Solubility
WLOGP
1.19
MLOGP
1.08
XLogP3
-0.1
Consensus LogP
0.72
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5