3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine
TL;DR: 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 81258-47-1) is a chemical compound with molecular formula C16H12N4O4 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine, 3,6-BIS(2H-1,3-BENZODIOXOL-5-YL)-1,4-DIHYDRO-1,2,4,5-TETRAZINE
| Molecular Formula | C16H12N4O4 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.08585 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 81258-47-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=NN3)C4=CC5=C(C=C4)OCO5 |
| InChIKey | ZJEVGSILUXFVQM-UHFFFAOYSA-N |
Product Overview
3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 81258-47-1), with molecular formula C16H12N4O4 and molecular weight 324.09 g/mol. IUPAC: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine
Property Insights of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine. Following Lipinski's Rule of Five, 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine has 2 hydrogen bond donor(s) and 6 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 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The CAS number of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine is 81258-47-1.
What is the molecular formula of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine is C16H12N4O4.
What is the molecular weight of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine is 324.09 g/mol.
Where can I buy 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.