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CAS 124635-84-3 Flurbiprofen Impurity 5 molecular structure lightbox
CAS RN: 124635-84-3

Flurbiprofen Impurity 5

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS124635-84-3
  • Purity/Analytical Methods: >99.0%
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124635-84-3 / 2,3-dihydroxypropyl 2-(3-fluoro-4-phenylphenyl)propanoate

Standard CAS: 124635-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124635-84-3
Multi CAS
No
Molecular Formula
C18H19FO4
Molecular Weight
318.300000
Exact Mass
318.126737
SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCC(CO)O
InChI
InChI=1S/C18H19FO4/c1-12(18(22)23-11-15(21)10-20)14-7-8-16(17(19)9-14)13-5-3-2-4-6-13/h2-9,12,15,20-21H,10-11H2,1H3
InChIKey
QVDNLTYIEYPCOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.3
TPSA
66.76

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
3.2
Consensus LogP
2.63
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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