CAS RN: 1817735-32-2
Boc-N-amido-PEG3-sulfonic acid
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.20250126 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1817735-32-2
- Purity/Analytical Methods: >99.0%
1817735-32-2 / 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
Basic Information
CAS
1817735-32-2
Multi CAS
No
Molecular Formula
C13H27NO8S
Molecular Weight
357.420000
Exact Mass
357.145738
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C13H27NO8S/c1-13(2,3)22-12(15)14-4-5-19-6-7-20-8-9-21-10-11-23(16,17)18/h4-11H2,1-3H3,(H,14,15)(H,16,17,18)
InChIKey
OVHIYMDHNOIKJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
2
Molar refractivity
83.11
TPSA
120.39
LogP / Solubility
WLOGP
0.45
MLOGP
0.41
XLogP3
-0.6
Consensus LogP
0.09
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-4.58
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
2.5
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