[email protected]
CAS 1291058-05-3 1,2,4,5-tetra(1H-tetrazol-5-yl)benzene molecular structure lightbox
CAS RN: 1291058-05-3

1,2,4,5-tetra(1H-tetrazol-5-yl)benzene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260509 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1291058-05-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1291058-05-3 / 5-[2,4,5-tris(2H-tetrazol-5-yl)phenyl]-2H-tetrazole

Standard CAS: 1291058-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1291058-05-3
Multi CAS
No
Molecular Formula
C10H6N16
Molecular Weight
350.260000
Exact Mass
350.096134
SMILES
C1=C(C(=CC(=C1C2=NNN=N2)C3=NNN=N3)C4=NNN=N4)C5=NNN=N5
InChI
InChI=1S/C10H6N16/c1-3(7-11-19-20-12-7)5(9-15-23-24-16-9)2-6(10-17-25-26-18-10)4(1)8-13-21-22-14-8/h1-2H,(H,11,12,19,20)(H,13,14,21,22)(H,15,16,23,24)(H,17,18,25,26)
InChIKey
MIOKKXAVBCYWCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
26
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
4
Molar refractivity
79.13
TPSA
217.84

LogP / Solubility

WLOGP
-1.59
MLOGP
-1.38
XLogP3
-1.2
Consensus LogP
-1.39
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-5.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us