![3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium structure](/static/products/7226/7226-53-1.webp)
3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium
TL;DR: 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium (CAS 7226-53-1) is a chemical compound with molecular formula C18H16N6S6+2 and molecular weight 507.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8,16,21,28,30-hexathia-5,6,18,19-tetraza-27,29-diazoniapentacyclo[21.3.1.14,7.110,14.117,20]triaconta-1(27),4,6,10(29),11,13,17,19,23,25-decaene
Also Known As: 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium, RefChem:317645
| Molecular Formula | C18H16N6S6+2 |
|---|---|
| Molecular Weight | 507.98 g/mol |
| LogP | 4.5004 |
| Topological Polar Surface Area | 79.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 507.97607 |
| Heavy Atoms | 30 |
| Complexity | 980.1695 |
Chemical Identifiers
| CAS Number | 7226-53-1 |
|---|---|
| SMILES | C1C2=[NH+]C(=CC=C2)CSC3=NN=C(S3)SCC4=CC=CC(=[NH+]4)CSC5=NN=C(S1)S5 |
Product Overview
3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium (CAS 7226-53-1), with molecular formula C18H16N6S6+2 and molecular weight 507.98 g/mol. IUPAC: 3,8,16,21,28,30-hexathia-5,6,18,19-tetraza-27,29-diazoniapentacyclo[21.3.1.14,7.110,14.117,20]triaconta-1(27),4,6,10(29),11,13,17,19,23,25-decaene.
Chemical Property Profile of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium
Property Insights of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium
The XLogP value of 4.5004 indicates that 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium. Following Lipinski's Rule of Five, 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium?
The CAS number of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium is 7226-53-1.
What is the molecular formula of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium?
The molecular formula of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium is C18H16N6S6+2.
What is the molecular weight of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium?
The molecular weight of 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium is 507.98 g/mol.
Where can I buy 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium?
You can request a quote for 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium?
Yes, KEHONG BIO provides custom synthesis services for 3,5,9,11-Tetrathia-1,7(2,6)-dipyridina-4,10(2,5)-di([1,3,4]thiadiazola)cyclododecaphane-1~1~,7~1~-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.