![2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione structure](/static/products/896/896816-75-4.png)
2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione (CAS 896816-75-4) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)ethyl]isoindole-1,3-dione
Also Known As: 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione, 2-(1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl)isoindoline-1,3-dione
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.9651 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1319.5787 |
Chemical Identifiers
| CAS Number | 896816-75-4 |
|---|---|
| SMILES | CC(C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCCC4)N5C(=O)C6=CC=CC=C6C5=O |
Product Overview
2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione (CAS 896816-75-4), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: 2-[1-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-yl)ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.9651 indicates that 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione has 0 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 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione is 896816-75-4.
What is the molecular formula of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione is C22H19N5O2S.
What is the molecular weight of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione is 417.13 g/mol.
Where can I buy 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.