Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate (CAS 5973-77-3) is a chemical compound with molecular formula C12H11N3O5S2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
Also Known As: DivK1c_005726, CDS1_004686, BIM-0030359.P001, AB00124970-03, F0098-0407
| Molecular Formula | C12H11N3O5S2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 2.85022 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.014 |
| Heavy Atoms | 22 |
| Complexity | 736.9523 |
Chemical Identifiers
| CAS Number | 5973-77-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C |
Product Overview
Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate (CAS 5973-77-3), with molecular formula C12H11N3O5S2 and molecular weight 341.01 g/mol. IUPAC: ethyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate
The XLogP value of 2.85022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 8 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 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate is 5973-77-3.
What is the molecular formula of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate is C12H11N3O5S2.
What is the molecular weight of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate is 341.01 g/mol.
Where can I buy Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-(5-nitrothiophene-2-carboxamido)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.