CAS RN: 5422-52-6
2-PENTYLHEPTANOIC 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.20250416 | 100mg / 250mg / 500mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5422-52-6
- Purity/Analytical Methods: >99.0%
5422-52-6 / 2-pentylheptanoic acid
Basic Information
CAS
5422-52-6
Multi CAS
No
Molecular Formula
C12H24O2
Molecular Weight
200.320000
Exact Mass
200.177630
InChI
InChI=1S/C12H24O2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChIKey
PLVOWOHSFJLXOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.41
TPSA
37.3
LogP / Solubility
WLOGP
3.85
MLOGP
3.39
XLogP3
4.3
Consensus LogP
3.85
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.24
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)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5423-53-0
- Product Code: starshine_CAS5423-53-0
- Purity/Analytical method: >99.0%
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