Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate (CAS 865545-10-4) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
Also Known As: F1381-1148, ethyl (2E)-2-[(furan-2-carbonyl)imino]-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate, ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate, (E)-ethyl 2-((furan-2-carbonyl)imino)-3-methyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.7506 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 934.8002 |
Chemical Identifiers
| CAS Number | 865545-10-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)C |
Product Overview
Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate (CAS 865545-10-4), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.7506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate has 0 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 Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate is 865545-10-4.
What is the molecular formula of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate is C16H14N2O4S.
What is the molecular weight of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate is 330.07 g/mol.
Where can I buy Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl 2-(furan-2-carbonylimino)-3-methyl-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 Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(furan-2-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.