CAS RN: 32502-62-8

3-methyl toxoflavin

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 10mg In stock Shanghai Inquiry
Batchno.20251015 1mg In stock Shanghai Inquiry
Batchno.20250928 1mg / 5mg / 10mg / 50mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250702 25mg In stock Shanghai Inquiry
Batchno.20251115 50mg In stock Shanghai Inquiry
Batchno.20250926 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS32502-62-8
  • Purity/Analytical Methods: >99.0%
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32502-62-8 / 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

Standard CAS: 32502-62-8 Multi CAS: No

Basic Information

CAS
32502-62-8
Multi CAS
No
Molecular Formula
C8H9N5O2
Molecular Weight
207.190000
Exact Mass
207.075625
InChI
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
InChIKey
CPXHNWKHOFNPDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.38
H-bond acceptors
7
Molar refractivity
51.67
TPSA
82.67

LogP / Solubility

WLOGP
-1.32
MLOGP
-1.16
XLogP3
-0.7
Consensus LogP
-1.06
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
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)
-4.92

Drug-likeness / Medicinal Chemistry

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

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