CAS RN: 162762-93-8
Yunnancoronarin 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.20260527 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS162762-93-8
- Purity/Analytical Methods: >99.0%
162762-93-8 / (1R,4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
Basic Information
CAS
162762-93-8
Multi CAS
No
Molecular Formula
C20H28O2
Molecular Weight
300.400000
Exact Mass
300.208930
SMILES
C[C@]12CCCC([C@@H]1[C@@H](CC(=C)[C@@H]2/C=C/C3=COC=C3)O)(C)C
InChI
InChI=1S/C20H28O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17+,18-,20+/m0/s1
InChIKey
UTIGHTZWXIGRIJ-JEQJTPLUSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.22
TPSA
33.37
LogP / Solubility
WLOGP
5.06
MLOGP
4.47
XLogP3
5
Consensus LogP
4.84
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
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)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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