[email protected]
CAS 35523-67-2 4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one molecular structure lightbox
CAS RN: 35523-67-2

4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35523-67-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35523-67-2 / 5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Standard CAS: 35523-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35523-67-2
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9)
InChIKey
INVVMIXYILXINW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.34
TPSA
63.05

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.25
XLogP3
-0.5
Consensus LogP
-0.34
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us