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CAS 2879-16-5 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione molecular structure lightbox
CAS RN: 2879-16-5

3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260331 500mg In stock Shanghai Inquiry
  • Product code: SSC-130487
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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 2879-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

2879-16-5 / 8-(hydroxymethyl)-1,3-dimethyl-7H-purine-2,6-dione

Standard CAS: 2879-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2879-16-5
Multi CAS
Yes
Molecular Formula
C8H10N4O3
Molecular Weight
210.190000
Exact Mass
210.075290
InChI
InChI=1S/C8H10N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h13H,3H2,1-2H3,(H,9,10)
InChIKey
GHYKZCOUOKEWNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.5
TPSA
92.91

LogP / Solubility

WLOGP
-1.55
MLOGP
-1.36
XLogP3
-0.9
Consensus LogP
-1.27
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.14
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)
-5.1

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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