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CAS 84-82-2 Toxoflavin molecular structure lightbox
CAS RN: 84-82-2

Toxoflavin

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251123 100mg In stock Shanghai Inquiry
Batchno.20260609 10mg Out of stock 30 business days Inquiry
Batchno.20250927 10mg In stock Shanghai Inquiry
Batchno.20250119 25mg In stock Shanghai Inquiry
Batchno.20250429 50mg In stock Shanghai Inquiry
Batchno.20250407 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS84-82-2
  • Purity/Analytical Methods: >99.0%
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84-82-2 / 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

Standard CAS: 84-82-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84-82-2
Multi CAS
Yes
Molecular Formula
C7H7N5O2
Molecular Weight
193.160000
Exact Mass
193.059974
InChI
InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey
SLGRAIAQIAUZAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.29
H-bond acceptors
7
Molar refractivity
46.93
TPSA
82.67

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.43
XLogP3
-0.7
Consensus LogP
-1.25
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
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)
-5.05

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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