CAS RN: 221456-63-9
Fischeria A
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.20260405 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS221456-63-9
- Purity/Analytical Methods: >99.0%
221456-63-9 / (1R,6R,10R,12R)-12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.02,6]tetradec-2-en-4-one
Basic Information
CAS
221456-63-9
Multi CAS
No
Molecular Formula
C19H28O2
Molecular Weight
288.400000
Exact Mass
288.208930
SMILES
C[C@]1(CC[C@@]2([C@@H](C1)CCC([C@@H]3C2=CC(=O)O3)(C)C)C)C=C
InChI
InChI=1S/C19H28O2/c1-6-18(4)9-10-19(5)13(12-18)7-8-17(2,3)16-14(19)11-15(20)21-16/h6,11,13,16H,1,7-10,12H2,2-5H3/t13-,16+,18-,19-/m1/s1
InChIKey
HJTIEBXNTWYKEY-ZFKCKOODSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.74
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
84.73
TPSA
26.3
LogP / Solubility
WLOGP
4.66
MLOGP
4.11
XLogP3
5.4
Consensus LogP
4.72
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
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
4.5
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