Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate
TL;DR: Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate (CAS 477539-05-2) is a chemical compound with molecular formula C16H11N3O6S and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(5-nitrofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
Also Known As: methyl 4-[2-(5-nitrofuran-2-amido)-1,3-thiazol-4-yl]benzoate, F0816-0734, methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate, methyl 4-[2-[(5-nitrofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
| Molecular Formula | C16H11N3O6S |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 3.3502 |
| Topological Polar Surface Area | 124.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.03687 |
| Heavy Atoms | 26 |
| Complexity | 976.0489 |
Chemical Identifiers
| CAS Number | 477539-05-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate (CAS 477539-05-2), with molecular formula C16H11N3O6S and molecular weight 373.04 g/mol. IUPAC: methyl 4-[2-[(5-nitrofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]benzoate.
Chemical Property Profile of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate
Property Insights of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate
The XLogP value of 3.3502 indicates that Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate 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 Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate?
The CAS number of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate is 477539-05-2.
What is the molecular formula of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate?
The molecular formula of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate is C16H11N3O6S.
What is the molecular weight of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate?
The molecular weight of Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate is 373.04 g/mol.
Where can I buy Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate?
You can request a quote for Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(5-nitrofuran-2-carboxamido)thiazol-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.