CAS RN: 1895922-68-5
Thiol-dPEG4-t-boc-N-amido
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.20260517 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1895922-68-5
- Purity/Analytical Methods: >99.0%
1895922-68-5 / tert-butyl N-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1895922-68-5
Multi CAS
No
Molecular Formula
C13H27NO5S
Molecular Weight
309.420000
Exact Mass
309.160994
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCS
InChI
InChI=1S/C13H27NO5S/c1-13(2,3)19-12(15)14-4-5-16-6-7-17-8-9-18-10-11-20/h20H,4-11H2,1-3H3,(H,14,15)
InChIKey
RWCUSUXTCYNDCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
80.55
TPSA
66.02
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
0.8
Consensus LogP
1.2
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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