![12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE structure](/static/products/861/861138-38-7.png)
12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE
TL;DR: 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE (CAS 861138-38-7) is a chemical compound with molecular formula C18H20N6OS2 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-ethyl-15-methyl-3-(2-methylprop-2-enylsulfanyl)-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-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE, 12-ethyl-12-methyl-7-((2-methylallyl)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-ethyl-12-methyl-7-[(2-methylprop-2-en-1-yl)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 | C18H20N6OS2 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.8963 |
| Topological Polar Surface Area | 69.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.114 |
| Heavy Atoms | 27 |
| Complexity | 1205.2913 |
Chemical Identifiers
| CAS Number | 861138-38-7 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=C)C)C |
Product Overview
12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE (CAS 861138-38-7), with molecular formula C18H20N6OS2 and molecular weight 400.11 g/mol. IUPAC: 15-ethyl-15-methyl-3-(2-methylprop-2-enylsulfanyl)-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-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE
Property Insights of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE
The XLogP value of 3.8963 indicates that 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE. Following Lipinski's Rule of Five, 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE has 0 hydrogen bond donor(s) and 7 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-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE?
The CAS number of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE is 861138-38-7.
What is the molecular formula of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE?
The molecular formula of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE is C18H20N6OS2.
What is the molecular weight of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE?
The molecular weight of 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE is 400.11 g/mol.
Where can I buy 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE?
You can request a quote for 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 12-ETHYL-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]PYRIMIDIN-7-YL (2-METHYLALLYL) SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.