CAS RN: 25415-62-7
N-AMYL ISOVALERATE
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.20260310 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS25415-62-7
- Purity/Analytical Methods: >99.0%
25415-62-7 / pentyl 3-methylbutanoate
Basic Information
CAS
25415-62-7
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey
QURFFFCYNQXLCU-UHFFFAOYSA-N
Physical Properties
Boiling Point
169.00 to 170.00 °C. @ 760.00 mm Hg
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
49.94
TPSA
26.3
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.8
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 25422-31-5
- Product Code: starshine_CAS25422-31-5
- Purity/Analytical method: >99.0%
