CAS RN: 1817735-26-4
t-Butoxycarbonyl-PEG4-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.20260515 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1817735-26-4
- Purity/Analytical Methods: >99.0%
1817735-26-4 / 2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
Basic Information
CAS
1817735-26-4
Multi CAS
No
Molecular Formula
C15H30O9S
Molecular Weight
386.500000
Exact Mass
386.161054
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C15H30O9S/c1-15(2,3)24-14(16)4-5-20-6-7-21-8-9-22-10-11-23-12-13-25(17,18)19/h4-13H2,1-3H3,(H,17,18,19)
InChIKey
YPGODLLTTUNMNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.93
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
1
Molar refractivity
90.15
TPSA
117.59
LogP / Solubility
WLOGP
0.67
MLOGP
0.61
XLogP3
-0.7
Consensus LogP
0.19
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
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)
-4.6
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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