![6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/587/587012-19-9.png)
6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 587012-19-9) is a chemical compound with molecular formula C22H25N3O3S3 and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-12-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6-ethyl-6-methyl-4-[(4-nitrobenzyl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C22H25N3O3S3 |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 6.6353 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.1058 |
| Heavy Atoms | 31 |
| Complexity | 1100.8145 |
Chemical Identifiers
| CAS Number | 587012-19-9 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=N1)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 587012-19-9), with molecular formula C22H25N3O3S3 and molecular weight 475.11 g/mol. IUPAC: 12-ethyl-12-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.6353 indicates that 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 587012-19-9.
What is the molecular formula of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C22H25N3O3S3.
What is the molecular weight of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 475.11 g/mol.
Where can I buy 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-6-methyl-4-((4-nitrobenzyl)thio)-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.