CAS RN: 1228175-65-2
8-Geranyloxy-5,7-diMethoxycouMarin
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.20260609 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1228175-65-2
- Purity/Analytical Methods: >99.0%
1228175-65-2 / 8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5,7-dimethoxychromen-2-one
Basic Information
CAS
1228175-65-2
Multi CAS
No
Molecular Formula
C21H26O5
Molecular Weight
358.400000
Exact Mass
358.178024
SMILES
CC(=CCC/C(=C/COC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)/C)C
InChI
InChI=1S/C21H26O5/c1-14(2)7-6-8-15(3)11-12-25-21-18(24-5)13-17(23-4)16-9-10-19(22)26-20(16)21/h7,9-11,13H,6,8,12H2,1-5H3/b15-11+
InChIKey
UFGXRHHXLABPNI-RVDMUPIBSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
103.51
TPSA
57.9
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
5.2
Consensus LogP
4.8
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.44
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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