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CAS 6011-27-4 Alloxantin Dihydrate molecular structure lightbox
CAS RN: 6011-27-4

Alloxantin Dihydrate

  • Product code: SSC-168687
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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: 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 6011-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

6011-27-4 / 5-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione;dihydrate

Standard CAS: 6011-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6011-27-4
Multi CAS
Yes
Molecular Formula
C8H10N4O10
Molecular Weight
322.190000
Exact Mass
322.039693
InChI
InChI=1S/C8H6N4O8.2H2O/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16;;/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18);2*1H2
InChIKey
BFMIJRCCNVNSBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
8
H-bond donors
6
Molar refractivity
60.49
TPSA
254

LogP / Solubility

WLOGP
-6.47
MLOGP
-5.68
XLogP3
-6.47
Consensus LogP
-6.21
Log S (ESOL)
2.3
Class (ESOL)
Highly soluble
Log S (Ali)
2.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.49
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)
-9.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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