CAS RN: 508-71-4
rosenonolactone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260219 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS508-71-4
- Purity/Analytical Methods: >99.0%
508-71-4 / 5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecane-8,16-dione
Basic Information
CAS
508-71-4
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3
InChIKey
HWECMADGHQKSLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
87.65
TPSA
43.37
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.82
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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