![7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene structure](/static/products/3031/303126-09-2.webp)
7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene
TL;DR: 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene (CAS 303126-09-2) is a chemical compound with molecular formula C12H13N5S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-10-thia-3,4,5,6,8-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene, 5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-c]pyrimidine, 5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e]tetrazolo[1,5-c]pyrimidine, 5-ethyl-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,3,4-tetraazolo[1,5-e ]pyrimidine
| Molecular Formula | C12H13N5S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.08917 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 303126-09-2 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C4=NN=NN14 |
| InChIKey | UPKVCSWSYZUCNX-UHFFFAOYSA-N |
Product Overview
7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene (CAS 303126-09-2), with molecular formula C12H13N5S and molecular weight 259.09 g/mol. IUPAC: 7-ethyl-10-thia-3,4,5,6,8-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene
Property Insights of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene
The XLogP value of 3.1 indicates that 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene. Following Lipinski's Rule of Five, 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene has 0 hydrogen bond donor(s) and 5 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 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene?
The CAS number of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene is 303126-09-2.
What is the molecular formula of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene?
The molecular formula of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene is C12H13N5S.
What is the molecular weight of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene?
The molecular weight of 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene is 259.09 g/mol.
Where can I buy 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene?
You can request a quote for 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene?
Yes, KEHONG BIO provides custom synthesis services for 7-ethyl-10-thia-3,4,5,6,8-pentaazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.