CAS RN: 175862-40-5
Wedelialactone 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.20260327 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS175862-40-5
- Purity/Analytical Methods: >99.0%
175862-40-5 / [(3aR,4R,4aS,5R,8R,8aR,9S,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-9-yl] (E)-2-methylbut-2-enoate
Basic Information
CAS
175862-40-5
Multi CAS
No
Molecular Formula
C24H34O8
Molecular Weight
450.500000
Exact Mass
450.225368
SMILES
C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@@H]([C@H]([C@@H]3[C@@]1([C@@H](CC[C@@]3(C)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChI
InChI=1S/C24H34O8/c1-8-12(4)21(27)32-19-17-15(13(5)22(28)31-17)16(30-20(26)11(2)3)18-23(6,29)10-9-14(25)24(18,19)7/h8,11,14-19,25,29H,5,9-10H2,1-4,6-7H3/b12-8+/t14-,15-,16-,17-,18+,19-,23-,24+/m1/s1
InChIKey
RDXQYZATVQTRST-VJTLMBDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114
TPSA
119.36
LogP / Solubility
WLOGP
2.07
MLOGP
1.85
XLogP3
2.9
Consensus LogP
2.27
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-4
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
6.5
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