CAS RN: 1919045-04-7
m-PEG3-Sulfone-PEG3-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.20260311 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1919045-04-7
- Purity/Analytical Methods: >99.0%
1919045-04-7 / 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1919045-04-7
Multi CAS
No
Molecular Formula
C16H32O10S
Molecular Weight
416.500000
Exact Mass
416.171618
SMILES
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C16H32O10S/c1-21-4-5-23-8-10-25-12-14-27(19,20)15-13-26-11-9-24-7-6-22-3-2-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
CLINTTTZSLFCQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.94
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
1
Molar refractivity
96.88
TPSA
126.82
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.32
XLogP3
-1.8
Consensus LogP
-0.84
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.56
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)
-5.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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