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CAS 1713477-43-0 2,7-Dimethyl-1,7-dihydro-purin-6-one molecular structure lightbox
CAS RN: 1713477-43-0

2,7-Dimethyl-1,7-dihydro-purin-6-one

  • Product code: SSC-075471
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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, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 1713477-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1713477-43-0 / 2,7-dimethyl-1H-purin-6-one

Standard CAS: 1713477-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1713477-43-0
Multi CAS
No
Molecular Formula
C7H8N4O
Molecular Weight
164.160000
Exact Mass
164.069811
SMILES
CC1=NC2=C(C(=O)N1)N(C=N2)C
InChI
InChI=1S/C7H8N4O/c1-4-9-6-5(7(12)10-4)11(2)3-8-6/h3H,1-2H3,(H,9,10,12)
InChIKey
HODYANVTVAIKNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.87
TPSA
63.57

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.04
XLogP3
-0.5
Consensus LogP
-0.19
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.75

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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