CAS RN: 24268-41-5
Furanodienone
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS24268-41-5
- Purity/Analytical Methods: >99.0%
24268-41-5 / 3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
Basic Information
CAS
24268-41-5
Multi CAS
No
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
SMILES
CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
InChI
InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3
InChIKey
XVOHELPNOXGRBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
68.23
TPSA
30.21
LogP / Solubility
WLOGP
4
MLOGP
3.52
XLogP3
2.9
Consensus LogP
3.47
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.29
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
3
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