CAS RN: 1564265-85-5
3,4-Seco-3-oxobisabol-10-ene-4,1-olide
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.20250712 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1564265-85-5
- Purity/Analytical Methods: >99.0%
1564265-85-5 / 4-(6-methylhept-5-en-2-yl)-5-(2-oxopropyl)oxolan-2-one
Basic Information
CAS
1564265-85-5
Multi CAS
No
Molecular Formula
C15H24O3
Molecular Weight
252.350000
Exact Mass
252.172545
SMILES
CC(CCC=C(C)C)C1CC(=O)OC1CC(=O)C
InChI
InChI=1S/C15H24O3/c1-10(2)6-5-7-11(3)13-9-15(17)18-14(13)8-12(4)16/h6,11,13-14H,5,7-9H2,1-4H3/t11?,13-,14-/m0/s1
InChIKey
VHMXPSJCPAORRU-VNXPTHQBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
71.11
TPSA
43.37
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly 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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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