CAS RN: 2128735-28-2
t-Boc-N-amido-PEG5-MS
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250328 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2128735-28-2
- Purity/Analytical Methods: >99.0%
2128735-28-2 / 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Basic Information
CAS
2128735-28-2
Multi CAS
No
Molecular Formula
C16H33NO9S
Molecular Weight
415.500000
Exact Mass
415.187603
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C16H33NO9S/c1-16(2,3)26-15(18)17-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-27(4,19)20/h5-14H2,1-4H3,(H,17,18)
InChIKey
XAHYLBKEJWWORN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.94
Rotatable bonds
16
H-bond acceptors
9
H-bond donors
1
Molar refractivity
98.31
TPSA
118.62
LogP / Solubility
WLOGP
0.55
MLOGP
0.51
XLogP3
-0.2
Consensus LogP
0.29
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86
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
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