CAS RN: 1835759-87-9
m-PEG3-ONHBoc
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.20250118 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1835759-87-9
- Purity/Analytical Methods: >99.0%
1835759-87-9 / tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbamate
Basic Information
CAS
1835759-87-9
Multi CAS
No
Molecular Formula
C12H25NO6
Molecular Weight
279.330000
Exact Mass
279.168188
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOC
InChI
InChI=1S/C12H25NO6/c1-12(2,3)19-11(14)13-18-10-9-17-8-7-16-6-5-15-4/h5-10H2,1-4H3,(H,13,14)
InChIKey
MAGDKXJOAGLHED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.84
TPSA
75.25
LogP / Solubility
WLOGP
1.12
MLOGP
1
XLogP3
0.5
Consensus LogP
0.87
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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