CAS RN: 2381196-79-6
PEG3-C4-OBn
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.20250324 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2381196-79-6
- Purity/Analytical Methods: >99.0%
2381196-79-6 / 2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethanol
Basic Information
CAS
2381196-79-6
Multi CAS
No
Molecular Formula
C17H28O4
Molecular Weight
296.400000
Exact Mass
296.198759
SMILES
C1=CC=C(C=C1)COCCCCCCOCCOCCO
InChI
InChI=1S/C17H28O4/c18-10-13-20-15-14-19-11-6-1-2-7-12-21-16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2
InChIKey
BVCUBCXUEWSFBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.29
TPSA
47.92
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2
Consensus LogP
2.42
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
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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