![10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/577/577985-16-1.png)
10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 577985-16-1) is a chemical compound with molecular formula C21H21N5O3S3 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-ethyl-14-methyl-7-methylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 10-ethyl-10-methyl-5-(methylthio)-3-((4-nitrobenzyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H21N5O3S3 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 5.5028 |
| Topological Polar Surface Area | 95.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.08066 |
| Heavy Atoms | 32 |
| Complexity | 1334.4539 |
Chemical Identifiers
| CAS Number | 577985-16-1 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 577985-16-1), with molecular formula C21H21N5O3S3 and molecular weight 487.08 g/mol. IUPAC: 14-ethyl-14-methyl-7-methylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.5028 indicates that 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine 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 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 577985-16-1.
What is the molecular formula of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C21H21N5O3S3.
What is the molecular weight of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 487.08 g/mol.
Where can I buy 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.