![12,12-dimethyl-7-((4-nitrobenzyl)thio)-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/862/862485-07-2.png)
12,12-dimethyl-7-((4-nitrobenzyl)thio)-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: 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 862485-07-2) is a chemical compound with molecular formula C20H17N7O3S2 and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,15-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-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: 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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, 12,12-dimethyl-7-[(4-nitrobenzyl)sulfanyl]-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 | C20H17N7O3S2 |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 4.0385 |
| Topological Polar Surface Area | 112.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.08344 |
| Heavy Atoms | 32 |
| Complexity | 1517.6066 |
Chemical Identifiers
| CAS Number | 862485-07-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC6=CC=C(C=C6)[N+](=O)[O-])C |
Product Overview
12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 862485-07-2), with molecular formula C20H17N7O3S2 and molecular weight 467.08 g/mol. IUPAC: 15,15-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 4.0385 indicates that 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 112.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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, 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 9 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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 862485-07-2.
What is the molecular formula of 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 C20H17N7O3S2.
What is the molecular weight of 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 467.08 g/mol.
Where can I buy 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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 12,12-dimethyl-7-((4-nitrobenzyl)thio)-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.