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CAS 71861-76-2 1-acetyl-3,2-toluyl-5-fluorouracil molecular structure lightbox
CAS RN: 71861-76-2

1-acetyl-3,2-toluyl-5-fluorouracil

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS71861-76-2
  • Purity/Analytical Methods: >99.0%
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71861-76-2 / 1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione

Standard CAS: 71861-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71861-76-2
Multi CAS
Yes
Molecular Formula
C14FH11N2O4
Molecular Weight
290.250000
Exact Mass
290.070285
InChI
InChI=1S/C14H11FN2O4/c1-8-5-3-4-6-10(8)12(19)17-13(20)11(15)7-16(9(2)18)14(17)21/h3-7H,1-2H3
InChIKey
DRXHAKVGNKHFMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
72.13
TPSA
78.14

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
1.3
Consensus LogP
0.94
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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