CAS RN: 386704-09-2
7-HYDROXY-4-(3-TRIFLUOROMETHYLPHENYL)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.20260618 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS386704-09-2
- Purity/Analytical Methods: >99.0%
386704-09-2 / 7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one
Basic Information
CAS
386704-09-2
Multi CAS
No
Molecular Formula
C16F3H9O3
Molecular Weight
306.230000
Exact Mass
306.050379
InChI
InChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(21)22-14-7-11(20)4-5-12(13)14/h1-8,20H
InChIKey
VWKFVRVGEBQAQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.59
TPSA
50.44
LogP / Solubility
WLOGP
4.18
MLOGP
3.7
XLogP3
4
Consensus LogP
3.96
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.62
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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