CAS RN: 124020-39-9
1beta,10beta-Epoxydesacetoxymatricarin
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.20251008 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS124020-39-9
- Purity/Analytical Methods: >99.0%
124020-39-9 / (1R,3S,6S,7S,10S,11R)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-8,14-dione
Basic Information
CAS
124020-39-9
Multi CAS
No
Molecular Formula
C15H18O4
Molecular Weight
262.300000
Exact Mass
262.120509
SMILES
C[C@H]1[C@@H]2CC[C@]3([C@]4(O3)[C@@H]([C@H]2OC1=O)C(=CC4=O)C)C
InChI
InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,8-9,11-12H,4-5H2,1-3H3/t8-,9-,11+,12-,14-,15+/m0/s1
InChIKey
WLWQUBMOSXUFJB-YFRBHOLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.73
H-bond acceptors
4
Molar refractivity
66.24
TPSA
55.9
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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