CAS RN: 609-27-8
3-ETHYL-2-PENTANOL
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.20260608 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS609-27-8
- Purity/Analytical Methods: >99.0%
609-27-8 / 3-ethylpentan-2-ol
Basic Information
CAS
609-27-8
Multi CAS
Yes
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
InChI
InChI=1S/C7H16O/c1-4-7(5-2)6(3)8/h6-8H,4-5H2,1-3H3
InChIKey
NEHRITNOSGFGGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.75
TPSA
20.23
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
2
Consensus LogP
1.79
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
