Diphenyl-s-tetrazine
TL;DR: Diphenyl-s-tetrazine (CAS 6830-78-0) is a chemical compound with molecular formula C14H10N4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diphenyl-1,2,4,5-tetrazine
Also Known As: 3,6-Diphenyl-1,2,4,5-tetrazine, Diphenyl-s-tetrazine, 3,6-Diphenyl-s-tetrazine, 3,6-Diphenyltetrazine, s-Tetrazine, 3,6-diphenyl-
| Molecular Formula | C14H10N4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.09055 |
| Heavy Atoms | 18 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 6830-78-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N=N2)C3=CC=CC=C3 |
| InChIKey | XAUWSIIGUUMHQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl-s-tetrazine (CAS 6830-78-0), with molecular formula C14H10N4 and molecular weight 234.09 g/mol. IUPAC: 3,6-diphenyl-1,2,4,5-tetrazine.
Chemical Property Profile of Diphenyl-s-tetrazine
Property Insights of Diphenyl-s-tetrazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenyl-s-tetrazine. With a topological polar surface area (TPSA) of 51.6 Ų, Diphenyl-s-tetrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl-s-tetrazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphenyl-s-tetrazine?
The CAS number of Diphenyl-s-tetrazine is 6830-78-0.
What is the molecular formula of Diphenyl-s-tetrazine?
The molecular formula of Diphenyl-s-tetrazine is C14H10N4.
What is the molecular weight of Diphenyl-s-tetrazine?
The molecular weight of Diphenyl-s-tetrazine is 234.09 g/mol.
Where can I buy Diphenyl-s-tetrazine?
You can request a quote for Diphenyl-s-tetrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl-s-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl-s-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.