![12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine structure](/static/products/848/848992-37-0.png)
12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
TL;DR: 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine (CAS 848992-37-0) is a chemical compound with molecular formula C22H22N6O2S2 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-15-methyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine, 12-ethyl-7-((4-methoxybenzyl)thio)-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine, 12-ETHYL-7-[(4-METHOXYBENZYL)SULFANYL]-12-METHYL-12,13-DIHYDRO-10H-PYRANO[4',3':4,5]THIENO[3,2-E]DI[1,2,4]TRIAZOLO[4,3-A:1,5-C]PYRIMIDINE
| Molecular Formula | C22H22N6O2S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.529 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.12457 |
| Heavy Atoms | 32 |
| Complexity | 1454.7064 |
Chemical Identifiers
| CAS Number | 848992-37-0 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC6=CC=C(C=C6)OC)C |
Product Overview
12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine (CAS 848992-37-0), with molecular formula C22H22N6O2S2 and molecular weight 466.12 g/mol. IUPAC: 15-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-15-methyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
Chemical Property Profile of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Property Insights of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
The XLogP value of 4.529 indicates that 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine. Following Lipinski's Rule of Five, 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine has 0 hydrogen bond donor(s) and 8 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 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The CAS number of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is 848992-37-0.
What is the molecular formula of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The molecular formula of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is C22H22N6O2S2.
What is the molecular weight of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
The molecular weight of 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine is 466.12 g/mol.
Where can I buy 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
You can request a quote for 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 12-ethyl-7-[(4-methoxybenzyl)sulfanyl]-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.