[email protected]
CAS 5461-03-0 8-aminoxanthine molecular structure lightbox
CAS RN: 5461-03-0

8-aminoxanthine

  • Product code: SSC-162343
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 5461-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

5461-03-0 / 8-amino-3,7-dihydropurine-2,6-dione

Standard CAS: 5461-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5461-03-0
Multi CAS
Yes
Molecular Formula
C5H5N5O2
Molecular Weight
167.130000
Exact Mass
167.044324
InChI
InChI=1S/C5H5N5O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H5,6,7,8,9,10,11,12)
InChIKey
MWAMGTOITZRWMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.75
TPSA
120.42

LogP / Solubility

WLOGP
-1.48
MLOGP
-1.3
XLogP3
-1.1
Consensus LogP
-1.29
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.48
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)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us