![2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate structure](/static/products/3792/379247-84-4.webp)
2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate
TL;DR: 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate (CAS 379247-84-4) is a chemical compound with molecular formula C19H16N4O5S3 and molecular weight 476.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate, F1174-2121, dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)acetyl]amino}-2,4-thiophenedicarboxylate, dimethyl 5-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C19H16N4O5S3 |
|---|---|
| Molecular Weight | 476.03 g/mol |
| LogP | 3.61792 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.0283 |
| Heavy Atoms | 31 |
| Complexity | 1323.0408 |
Chemical Identifiers
| CAS Number | 379247-84-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3)C(=O)OC |
Product Overview
2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate (CAS 379247-84-4), with molecular formula C19H16N4O5S3 and molecular weight 476.03 g/mol. IUPAC: dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate
Property Insights of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate
The XLogP value of 3.61792 indicates that 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 10 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 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate?
The CAS number of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate is 379247-84-4.
What is the molecular formula of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate?
The molecular formula of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate is C19H16N4O5S3.
What is the molecular weight of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate?
The molecular weight of 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate is 476.03 g/mol.
Where can I buy 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate?
You can request a quote for 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dimethyl 3-methyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.