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CAS 5415-44-1 1,3,7-TRIMETHYLURIC ACID molecular structure lightbox
CAS RN: 5415-44-1

1,3,7-TRIMETHYLURIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 10mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250402 250mg In stock Shanghai Inquiry
Batchno.20260416 50mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-161728
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5415-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

5415-44-1 / 1,3,7-trimethyl-9H-purine-2,6,8-trione

Standard CAS: 5415-44-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5415-44-1
Multi CAS
Yes
Molecular Formula
C8H10N4O3
Molecular Weight
210.190000
Exact Mass
210.075290
InChI
InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
InChIKey
BYXCFUMGEBZDDI-UHFFFAOYSA-N

Physical Properties

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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