CAS RN: 5016-18-2
reumycin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5016-18-2
- Purity/Analytical Methods: >99.0%
5016-18-2 / 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Basic Information
CAS
5016-18-2
Multi CAS
Yes
Molecular Formula
C6H5N5O2
Molecular Weight
179.140000
Exact Mass
179.044324
InChI
InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
InChIKey
ZLLAXLPOOMLVRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
H-bond acceptors
6
H-bond donors
1
Molar refractivity
43.19
TPSA
93.53
LogP / Solubility
WLOGP
-1.59
MLOGP
-1.4
XLogP3
-1.4
Consensus LogP
-1.46
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.49
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)
-4.94
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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