![ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate structure](/static/products/100/1009769-98-5.png)
ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate (CAS 1009769-98-5) is a chemical compound with molecular formula C23H23N5O2S2 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate, ethyl 5-amino-1-(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate, ethyl 5-amino-1-[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carboxylate
| Molecular Formula | C23H23N5O2S2 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 4.807 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.1293 |
| Heavy Atoms | 32 |
| Complexity | 1282.7766 |
Chemical Identifiers
| CAS Number | 1009769-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)SCC5=CC=CC=C5)N |
Product Overview
ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate (CAS 1009769-98-5), with molecular formula C23H23N5O2S2 and molecular weight 465.13 g/mol. IUPAC: ethyl 5-amino-1-(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
The XLogP value of 4.807 indicates that ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 8 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 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate is 1009769-98-5.
What is the molecular formula of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate is C23H23N5O2S2.
What is the molecular weight of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate is 465.13 g/mol.
Where can I buy ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-(2-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.