CAS RN: 68412-54-4
OCTOXYNOL 9
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 5g / 25g / 100g / 250g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS68412-54-4
- Purity/Analytical Methods: >99.0%
68412-54-4 / 2-[2-(4-nonylphenoxy)ethoxy]ethanol
Basic Information
CAS
68412-54-4
Multi CAS
Yes
Molecular Formula
C19H32O3
Molecular Weight
308.500000
Exact Mass
308.235145
InChI
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChIKey
BLXVTZPGEOGTGG-UHFFFAOYSA-N
Physical Properties
Melting Point
42-43 °C
Physical Description
Liquid; Dry Powder
Colorless liquid or white solid; [CAMEO] White or pale yellow solid; Hygroscopic (n >= 15; avg 15-100); Clear colorless or pale yellow liquid; Hygroscopic (n >= 5; avg 3-15); (n = avg # moles of ethylene oxide); [CHEMINFO]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.54
TPSA
38.69
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
5.6
Consensus LogP
4.61
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
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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