CAS RN: 1891097-17-8
3′-O-Methylmurraol
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.20260407 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1891097-17-8
- Purity/Analytical Methods: >99.0%
1891097-17-8 / 7-methoxy-8-[(E)-3-methoxy-3-methylbut-1-enyl]chromen-2-one
Basic Information
CAS
1891097-17-8
Multi CAS
No
Molecular Formula
C16H18O4
Molecular Weight
274.310000
Exact Mass
274.120509
SMILES
CC(C)(/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC)OC
InChI
InChI=1S/C16H18O4/c1-16(2,19-4)10-9-12-13(18-3)7-5-11-6-8-14(17)20-15(11)12/h5-10H,1-4H3/b10-9+
InChIKey
PVBOJBJEDABADF-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
79.16
TPSA
48.67
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
2.8
Consensus LogP
2.97
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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