![7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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/877/877786-06-6.png)
7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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: 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 877786-06-6) 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.
3-[(4-methoxyphenyl)methylsulfanyl]-9,15,15-trimethyl-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: 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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, 7-[(4-methoxybenzyl)sulfanyl]-2,12,12-trimethyl-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
| Molecular Formula | C22H22N6O2S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.44732 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.12457 |
| Heavy Atoms | 32 |
| Complexity | 1481.9645 |
Chemical Identifiers
| CAS Number | 877786-06-6 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC)SC6=C3CC(OC6)(C)C |
Product Overview
7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 877786-06-6), with molecular formula C22H22N6O2S2 and molecular weight 466.12 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-9,15,15-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 4.44732 indicates that 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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, 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 877786-06-6.
What is the molecular formula of 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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 7-((4-methoxybenzyl)thio)-2,12,12-trimethyl-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.