![methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate structure](/static/products/7082/708237-38-1.webp)
methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate
TL;DR: methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate (CAS 708237-38-1) is a chemical compound with molecular formula C17H21N3O2S3 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate, methyl 5-ethyl-2-(3-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)thioureido)thiophene-3-carboxylate, methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate, methyl 5-ethyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H21N3O2S3 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.4873 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0796 |
| Heavy Atoms | 25 |
| Complexity | 797.15845 |
Chemical Identifiers
| CAS Number | 708237-38-1 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C(=O)OC |
Product Overview
methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate (CAS 708237-38-1), with molecular formula C17H21N3O2S3 and molecular weight 395.08 g/mol. IUPAC: methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate
Property Insights of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate
The XLogP value of 4.4873 indicates that methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate?
The CAS number of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate is 708237-38-1.
What is the molecular formula of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate?
The molecular formula of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate is C17H21N3O2S3.
What is the molecular weight of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate?
The molecular weight of methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate is 395.08 g/mol.
Where can I buy methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate?
You can request a quote for methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-ethyl-2-({[(6-methyl(4,5,6,7-tetrahydrobenzothiazol-2-yl))amino]thiox omethyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.