![ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate structure](/static/products/844/844649-08-7.png)
ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate
TL;DR: ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate (CAS 844649-08-7) is a chemical compound with molecular formula C23H29N5O2S2 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate, ethyl 4-[9-(methylsulfanyl)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]piperazine-1-carboxylate
| Molecular Formula | C23H29N5O2S2 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 4.6811 |
| Topological Polar Surface Area | 71.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.17627 |
| Heavy Atoms | 32 |
| Complexity | 1170.5988 |
Chemical Identifiers
| CAS Number | 844649-08-7 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)N5CCN(CC5)C(=O)OCC |
Product Overview
ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate (CAS 844649-08-7), with molecular formula C23H29N5O2S2 and molecular weight 471.18 g/mol. IUPAC: ethyl 4-(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate
Property Insights of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate
The XLogP value of 4.6811 indicates that ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate has 0 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 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate is 844649-08-7.
What is the molecular formula of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate is C23H29N5O2S2.
What is the molecular weight of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate is 471.18 g/mol.
Where can I buy ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-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-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.