(1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)
TL;DR: (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) (CAS 85810-98-6) is a chemical compound with molecular formula C20H12N8O2S2 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
Also Known As: (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone), Methanone, (1,4-dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenyl-, [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone, [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone, [1,4-Bis(1,3,4-thiadiazol-2-yl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-diyl]bis(phenylmethanone)
| Molecular Formula | C20H12N8O2S2 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 3.109 |
| Topological Polar Surface Area | 116.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.05246 |
| Heavy Atoms | 32 |
| Complexity | 1202.6754 |
Chemical Identifiers
| CAS Number | 85810-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NN(C(=NN2C3=NN=CS3)C(=O)C4=CC=CC=C4)C5=NN=CS5 |
Product Overview
(1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) (CAS 85810-98-6), with molecular formula C20H12N8O2S2 and molecular weight 460.05 g/mol. IUPAC: [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone.
Chemical Property Profile of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)
Property Insights of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)
The XLogP value of 3.109 indicates that (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone). Following Lipinski's Rule of Five, (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)?
The CAS number of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) is 85810-98-6.
What is the molecular formula of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)?
The molecular formula of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) is C20H12N8O2S2.
What is the molecular weight of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)?
The molecular weight of (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) is 460.05 g/mol.
Where can I buy (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)?
You can request a quote for (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone)?
Yes, KEHONG BIO provides custom synthesis services for (1,4-Dihydro-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazine-3,6-diyl)bis(phenylmethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.