![ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate structure](/static/products/900/900282-95-3.png)
ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
TL;DR: ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate (CAS 900282-95-3) is a chemical compound with molecular formula C24H28N4O3S and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate, ethyl 4-(4-oxo-3-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
| Molecular Formula | C24H28N4O3S |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.9946 |
| Topological Polar Surface Area | 67.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.1882 |
| Heavy Atoms | 32 |
| Complexity | 1179.4127 |
Chemical Identifiers
| CAS Number | 900282-95-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate (CAS 900282-95-3), with molecular formula C24H28N4O3S and molecular weight 452.19 g/mol. IUPAC: ethyl 4-(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
Property Insights of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate
The XLogP value of 3.9946 indicates that ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate 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 ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate is 900282-95-3.
What is the molecular formula of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate is C24H28N4O3S.
What is the molecular weight of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate is 452.19 g/mol.
Where can I buy ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.