CAS RN: 255831-16-4
Bis-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.20251029 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS255831-16-4
- Purity/Analytical Methods: >99.0%
255831-16-4 / 2-[2-[2-(2-sulfoethoxy)ethoxy]ethoxy]ethanesulfonic acid
Basic Information
CAS
255831-16-4
Multi CAS
No
Molecular Formula
C8H18O9S2
Molecular Weight
322.400000
Exact Mass
322.039224
SMILES
C(COCCS(=O)(=O)O)OCCOCCS(=O)(=O)O
InChI
InChI=1S/C8H18O9S2/c9-18(10,11)7-5-16-3-1-15-2-4-17-6-8-19(12,13)14/h1-8H2,(H,9,10,11)(H,12,13,14)
InChIKey
ZBAMFIBUYBWIBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
2
Molar refractivity
65.29
TPSA
136.43
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.03
XLogP3
-2.4
Consensus LogP
-1.54
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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