CAS RN: 620-11-1
3-PENTYLACETATE
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.20250627 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS620-11-1
- Purity/Analytical Methods: >99.0%
620-11-1 / pentan-3-yl acetate
Basic Information
CAS
620-11-1
Multi CAS
Yes
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-4-7(5-2)9-6(3)8/h7H,4-5H2,1-3H3
InChIKey
PBKYSIMDORTIEU-UHFFFAOYSA-N
Physical Properties
Physical Description
See also N-AMYL ACETATE
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
36.14
TPSA
26.3
LogP / Solubility
WLOGP
1.74
MLOGP
1.52
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.28
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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- Product Code: starshine_CAS620-71-3
- Purity/Analytical method: >99.0%
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