![9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/4010/40106-83-0.webp)
9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine (CAS 40106-83-0) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
Also Known As: 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine, F0239-0757, 3H-cyclohepta(b)thieno[2,3-d]pyrimido[3,4-a]-1,2,4-triazole, 9-thia-11,13,15,16-tetraazatetracyclo[8.7.0.0^{2,8}.0^{13,17}]heptadeca-1(10),2(8),11,14,16-pentaene, 8,9,10,11-Tetrahydro-7H-6-thia-1,2,3a,5-tetraaza-cyclohepta[b]-as-indacene
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 40106-83-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C4=NN=CN4C=N3 |
| InChIKey | OAHHGZDYXATDKX-UHFFFAOYSA-N |
Product Overview
9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine (CAS 40106-83-0), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene.
Chemical Property Profile of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 3.6 indicates that 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine 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 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine is 40106-83-0.
What is the molecular formula of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine is C12H12N4S.
What is the molecular weight of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine is 244.08 g/mol.
Where can I buy 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9,10,11,12-Tetrahydro-8H-cyclohepta[4,5]thieno[3,2-E][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.