CAS RN: 708-79-2
1-METHYLURIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 5mg | In stock | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS708-79-2
- Purity/Analytical Methods: >99.0%
708-79-2 / 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione
Basic Information
CAS
708-79-2
Multi CAS
Yes
Molecular Formula
C6H6N4O3
Molecular Weight
182.140000
Exact Mass
182.043990
InChI
InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
InChIKey
QFDRTQONISXGJA-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.78
TPSA
103.51
LogP / Solubility
WLOGP
-1.76
MLOGP
-1.55
XLogP3
-0.6
Consensus LogP
-1.3
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.61
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)
-5.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
