methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
TL;DR: methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate (CAS 1164546-51-3) is a chemical compound with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate, methyl (2Z)-3-(2-ethoxy-2-oxoethyl)-2-[(thiophene-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxylate, (Z)-methyl 3-(2-ethoxy-2-oxoethyl)-2-((thiophene-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C18H16N2O5S2 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 2.8551 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.05005 |
| Heavy Atoms | 27 |
| Complexity | 1063.3019 |
Chemical Identifiers
| CAS Number | 1164546-51-3 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CS3 |
Product Overview
methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate (CAS 1164546-51-3), with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol. IUPAC: methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
Property Insights of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.8551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate 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 methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate?
The CAS number of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate is 1164546-51-3.
What is the molecular formula of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate?
The molecular formula of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate is C18H16N2O5S2.
What is the molecular weight of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate?
The molecular weight of methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate is 404.05 g/mol.
Where can I buy methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate?
You can request a quote for methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-ethoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.