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CAS 40338-28-1 1-N-acetyluracil molecular structure lightbox
CAS RN: 40338-28-1

1-N-acetyluracil

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40338-28-1
  • Purity/Analytical Methods: >99.0%
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40338-28-1 / 1-acetylpyrimidine-2,4-dione

Standard CAS: 40338-28-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40338-28-1
Multi CAS
Yes
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
InChI
InChI=1S/C6H6N2O3/c1-4(9)8-3-2-5(10)7-6(8)11/h2-3H,1H3,(H,7,10,11)
InChIKey
NFYCBODEFCKFDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.62
TPSA
71.93

LogP / Solubility

WLOGP
-0.8
MLOGP
-0.71
XLogP3
-1
Consensus LogP
-0.84
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.23

Drug-likeness / Medicinal Chemistry

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

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