![ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate structure](/static/products/799/799784-72-8.png)
ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate
TL;DR: ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate (CAS 799784-72-8) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[7-(2-methylpropyl)-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]acetate
Also Known As: ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate, ethyl 2-((4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetate
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.5819 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 1013.5383 |
Chemical Identifiers
| CAS Number | 799784-72-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(CCC4)C(=N3)CC(C)C |
Product Overview
ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate (CAS 799784-72-8), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: ethyl 2-[[7-(2-methylpropyl)-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]acetate.
Chemical Property Profile of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate
Property Insights of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate
The XLogP value of 4.5819 indicates that ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 7 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-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate?
The CAS number of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate is 799784-72-8.
What is the molecular formula of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate?
The molecular formula of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate is C20H23N3O2S2.
What is the molecular weight of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate?
The molecular weight of ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate is 401.12 g/mol.
Where can I buy ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate?
You can request a quote for ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.