CAS RN: 1817735-45-7
Carboxy-PEG2-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.20251219 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1817735-45-7
- Purity/Analytical Methods: >99.0%
1817735-45-7 / 3-[2-(2-sulfoethoxy)ethoxy]propanoic acid
Basic Information
CAS
1817735-45-7
Multi CAS
No
Molecular Formula
C7H14O7S
Molecular Weight
242.250000
Exact Mass
242.046024
SMILES
C(COCCOCCS(=O)(=O)O)C(=O)O
InChI
InChI=1S/C7H14O7S/c8-7(9)1-2-13-3-4-14-5-6-15(10,11)12/h1-6H2,(H,8,9)(H,10,11,12)
InChIKey
BLCMYFITHZNSPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.31
TPSA
110.13
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.54
XLogP3
-1.7
Consensus LogP
-0.95
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-4.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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