![11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/847/847744-39-2.png)
11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 847744-39-2) is a chemical compound with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-4-(3-methoxyphenyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 7-ethyl-2-mercapto-3-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 11-ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 11-ethyl-4-(3-methoxyphenyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 11-ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C18H19N3O2S2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 3.49639 |
| Topological Polar Surface Area | 50.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.09186 |
| Heavy Atoms | 25 |
| Complexity | 1064.3489 |
Chemical Identifiers
| CAS Number | 847744-39-2 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC(=CC=C4)OC |
Product Overview
11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 847744-39-2), with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol. IUPAC: 11-ethyl-4-(3-methoxyphenyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 3.49639 indicates that 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.26 Ų, 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one has 1 hydrogen bond donor(s) and 5 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 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 847744-39-2.
What is the molecular formula of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C18H19N3O2S2.
What is the molecular weight of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 373.09 g/mol.
Where can I buy 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11-Ethyl-4-(3-methoxyphenyl)-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.