![3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/799/799785-39-0.png)
3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799785-39-0) is a chemical compound with molecular formula C21H21ClN4OS3 and molecular weight 476.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfanyl]-14-ethyl-14-methyl-7-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: 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-((4-chlorobenzyl)thio)-10-ethyl-10-methyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H21ClN4OS3 |
|---|---|
| Molecular Weight | 476.06 g/mol |
| LogP | 6.248 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.0566 |
| Heavy Atoms | 30 |
| Complexity | 1236.9891 |
Chemical Identifiers
| CAS Number | 799785-39-0 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=C(C=C5)Cl)C |
Product Overview
3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799785-39-0), with molecular formula C21H21ClN4OS3 and molecular weight 476.06 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-14-ethyl-14-methyl-7-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 6.248 indicates that 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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. With a topological polar surface area (TPSA) of 52.31 Ų, 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 799785-39-0.
What is the molecular formula of 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C21H21ClN4OS3.
What is the molecular weight of 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 476.06 g/mol.
Where can I buy 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(methylsulfanyl)-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.