CAS RN: 130182-00-2
6-ethyl-7-hydroxy-4-phenyl-coumarin
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.20260330 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS130182-00-2
- Purity/Analytical Methods: >99.0%
130182-00-2 / 6-ethyl-7-hydroxy-4-phenylchromen-2-one
Basic Information
CAS
130182-00-2
Multi CAS
No
Molecular Formula
C17H14O3
Molecular Weight
266.290000
Exact Mass
266.094294
SMILES
CCC1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c1-2-11-8-14-13(12-6-4-3-5-7-12)9-17(19)20-16(14)10-15(11)18/h3-10,18H,2H2,1H3
InChIKey
FRFGBBUZDWJTET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.96
TPSA
50.44
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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
1.5
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