CAS RN: 656830-24-9
camphorataanhydride A
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS656830-24-9
- Purity/Analytical Methods: >99.0%
656830-24-9 / 3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)furan-2,5-dione
Basic Information
CAS
656830-24-9
Multi CAS
Yes
Molecular Formula
C19H22O4
Molecular Weight
314.400000
Exact Mass
314.151809
InChI
InChI=1S/C19H22O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13H,10-11H2,1-4H3
InChIKey
ZXIUCXGVUOQMSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
88.84
TPSA
52.6
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
4.6
Consensus LogP
3.99
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-1.86
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
2.5
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