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CAS 575-04-2 7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN molecular structure lightbox
CAS RN: 575-04-2

7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250127 100mg In stock Shanghai Inquiry
Batchno.20250325 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250820 1g In stock Shanghai Inquiry
Batchno.20260116 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250713 5g Out of stock Inquiry
  • Product code: starshine_CAS575-04-2
  • Purity/Analytical Methods: >99.0%
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575-04-2 / 7-methoxy-4-(trifluoromethyl)chromen-2-one

Standard CAS: 575-04-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
575-04-2
Multi CAS
Yes
Molecular Formula
C11F3H7O3
Molecular Weight
244.170000
Exact Mass
244.034729
InChI
InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
InChIKey
HAZHUELNIGDYQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.04
TPSA
39.44

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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