CAS RN: 104497-77-0
2,3-Di(p-tolyl)-5-phenyltetrazolium Chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250506 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTB0345
- Purity/Analytical Methods: >98.0%(HPLC)
104497-77-0 / 2,3-bis(4-methylphenyl)-5-phenyltetrazol-2-ium chloride
2,3-Di(p-tolyl)-5-phenyltetrazolium Chloride | MFCD00060002 | 5-Phenyl-2,3-di-p-tolyl-2H-tetrazol-3-ium chloride
Basic Information
CAS
104497-77-0
Multi CAS
Yes
Molecular Formula
C21H19ClN4
Molecular Weight
362.900000
Exact Mass
362.129824
SMILES
CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C4=CC=CC=C4.[Cl-]
InChI
InChI=1S/C21H19N4.ClH/c1-16-8-12-19(13-9-16)24-22-21(18-6-4-3-5-7-18)23-25(24)20-14-10-17(2)11-15-20;/h3-15H,1-2H3;1H/q+1;/p-1
InChIKey
OUFYUKONKRMAMS-UHFFFAOYSA-M
Synonyms
2,3-Di(p-tolyl)-5-phenyltetrazolium Chloride
MFCD00060002
5-Phenyl-2,3-di-p-tolyl-2H-tetrazol-3-ium chloride
SCHEMBL916622
OUFYUKONKRMAMS-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
23
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
97.8
TPSA
34.59
LogP / Solubility
WLOGP
0.83
MLOGP
0.75
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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