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CAS 7464-93-9 7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione molecular structure lightbox
CAS RN: 7464-93-9

7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7464-93-9
  • Purity/Analytical Methods: >99.0%
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7464-93-9 / 1,3,9-trimethyl-7H-purine-2,6,8-trione

Standard CAS: 7464-93-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7464-93-9
Multi CAS
Yes
Molecular Formula
C8H10N4O3
Molecular Weight
210.190000
Exact Mass
210.075290
InChI
InChI=1S/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)
InChIKey
CWENCZHQIWXCCA-UHFFFAOYSA-N

Physical Properties

Melting Point
335 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
H-bond acceptors
6
H-bond donors
1
Molar refractivity
54.02
TPSA
81.79

LogP / Solubility

WLOGP
-1.74
MLOGP
-1.53
XLogP3
-0.4
Consensus LogP
-1.22
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.41
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)
-5.23

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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