CAS RN: 20493-56-5
Curzerenone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 20μl | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS20493-56-5
- Purity/Analytical Methods: >99.0%
20493-56-5 / (5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Basic Information
CAS
20493-56-5
Multi CAS
No
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
SMILES
CC1=COC2=C1C(=O)[C@@H]([C@@](C2)(C)C=C)C(=C)C
InChI
InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1
InChIKey
ZVMJXSJCBLRAPD-ZFWWWQNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.09
TPSA
30.21
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
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)
-1.49
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
2.5
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