CAS RN: 92691-35-5
GerMacrone 4,5-epoxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250730 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS92691-35-5
- Purity/Analytical Methods: >99.0%
92691-35-5 / (1S,6E,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one
Basic Information
CAS
92691-35-5
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6+/t14-,15-/m0/s1
InChIKey
DWGVRYKQVZGSIB-NCKTXVJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
68.88
TPSA
29.6
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
2.8
Consensus LogP
3.17
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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