CAS RN: 52061-75-3
2,2-DIPROPYLPENTANOIC ACID
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.20260108 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52061-75-3
- Purity/Analytical Methods: >99.0%
52061-75-3 / 2,2-dipropylpentanoic acid
Basic Information
CAS
52061-75-3
Multi CAS
Yes
Molecular Formula
C11H22O2
Molecular Weight
186.290000
Exact Mass
186.161980
InChI
InChI=1S/C11H22O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKey
UMJGAWHIMHSGMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.79
TPSA
37.3
LogP / Solubility
WLOGP
3.46
MLOGP
3.04
XLogP3
3.9
Consensus LogP
3.47
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.58
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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