CAS RN: 25524-95-2
(Z)-7-DECEN-5-OLIDE
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.20260416 | 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS25524-95-2
- Purity/Analytical Methods: >99.0%
25524-95-2 / 6-pent-2-enyloxan-2-one
Basic Information
CAS
25524-95-2
Multi CAS
No
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
SMILES
CCC=CCC1CCCC(=O)O1
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3
InChIKey
XPPALVZZCMPTIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.78
TPSA
26.3
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.4
Consensus LogP
2.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.01
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
2
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