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CAS 24021-44-1 Desmethyl Ketoprofen Methyl Ester molecular structure lightbox
CAS RN: 24021-44-1

Desmethyl Ketoprofen Methyl Ester

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260222 100mg In stock Inquiry
Batchno.20250914 10mg Out of stock Inquiry
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  • Product code: starshine_CAS24021-44-1
  • Purity/Analytical Methods: >99.0%
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24021-44-1 / 1-[4-(4-acetylphenoxy)phenyl]ethanone

Standard CAS: 24021-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24021-44-1
Multi CAS
No
Molecular Formula
C16H14O3
Molecular Weight
254.280000
Exact Mass
254.094294
SMILES
CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H14O3/c1-19-15(17)11-12-6-5-9-14(10-12)16(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
QTXILVCSTXQKLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
72.97
TPSA
43.37

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
2.9
Consensus LogP
3.4
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

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