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CAS 55441-71-9 9-METHYLURIC ACID molecular structure lightbox
CAS RN: 55441-71-9

9-METHYLURIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS55441-71-9
  • Purity/Analytical Methods: >99.0%
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55441-71-9 / 9-methyl-3,7-dihydropurine-2,6,8-trione

Standard CAS: 55441-71-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55441-71-9
Multi CAS
Yes
Molecular Formula
C6H6N4O3
Molecular Weight
182.140000
Exact Mass
182.043990
InChI
InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChIKey
XJEJWDFDVPDMAS-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.78
TPSA
103.51

LogP / Solubility

WLOGP
-1.76
MLOGP
-1.55
XLogP3
-1.1
Consensus LogP
-1.47
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.61
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.08

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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