![ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate structure](/static/products/575/575469-76-0.png)
ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate (CAS 575469-76-0) is a chemical compound with molecular formula C23H27N3O3S3 and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-(2-methylpropyl)-14-methylsulfanyl-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]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate, ethyl 4-{[4-(2-methylpropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C23H27N3O3S3 |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 5.263 |
| Topological Polar Surface Area | 82.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.12146 |
| Heavy Atoms | 32 |
| Complexity | 1189.888 |
Chemical Identifiers
| CAS Number | 575469-76-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=NC2=C1SC3=C2C4=C(CCC4)C(=N3)CC(C)C)SC |
Product Overview
ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate (CAS 575469-76-0), with molecular formula C23H27N3O3S3 and molecular weight 489.12 g/mol. IUPAC: ethyl 4-[[7-(2-methylpropyl)-14-methylsulfanyl-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]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate
The XLogP value of 5.263 indicates that ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate is 575469-76-0.
What is the molecular formula of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate is C23H27N3O3S3.
What is the molecular weight of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate is 489.12 g/mol.
Where can I buy ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate 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-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-isobutyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.