CAS RN: 79962-88-2
2-(2-ethylhexoxy)acetic 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.20260212 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79962-88-2
- Purity/Analytical Methods: >99.0%
79962-88-2 / 2-(2-ethylhexoxy)acetic acid
Basic Information
CAS
79962-88-2
Multi CAS
Yes
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
InChI
InChI=1S/C10H20O3/c1-3-5-6-9(4-2)7-13-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey
JSKVIEVGEWNVBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.76
TPSA
46.53
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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