![ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate structure](/static/products/843/843625-91-2.png)
ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate (CAS 843625-91-2) is a chemical compound with molecular formula C26H25N3O4S2 and molecular weight 507.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4,4-dimethyl-8-phenyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate, ethyl 4-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C26H25N3O4S2 |
|---|---|
| Molecular Weight | 507.13 g/mol |
| LogP | 5.3722 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.12866 |
| Heavy Atoms | 35 |
| Complexity | 1433.3375 |
Chemical Identifiers
| CAS Number | 843625-91-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C5=CC=CC=C5 |
Product Overview
ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate (CAS 843625-91-2), with molecular formula C26H25N3O4S2 and molecular weight 507.13 g/mol. IUPAC: ethyl 4-[(4,4-dimethyl-8-phenyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate
The XLogP value of 5.3722 indicates that ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-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-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate is 843625-91-2.
What is the molecular formula of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate is C26H25N3O4S2.
What is the molecular weight of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate is 507.13 g/mol.
Where can I buy ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-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-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.