[email protected]
CAS 80106-09-8 8-Nitroxanthine molecular structure lightbox
CAS RN: 80106-09-8

8-Nitroxanthine

  • Product code: SSC-189096
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80106-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

80106-09-8 / 8-nitro-3,7-dihydropurine-2,6-dione

Standard CAS: 80106-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80106-09-8
Multi CAS
No
Molecular Formula
C5H3N5O4
Molecular Weight
197.110000
Exact Mass
197.018504
InChI
InChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12)
InChIKey
LXDVSSPKQAHSGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
43.99
TPSA
137.54

LogP / Solubility

WLOGP
-1.15
MLOGP
-1.01
XLogP3
-0.6
Consensus LogP
-0.92
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very 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)
-4.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us