![Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate structure](/static/products/4450/445006-80-4.webp)
Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate
TL;DR: Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate (CAS 445006-80-4) is a chemical compound with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate, methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate, methyl 2-(2-(4-nitrophenoxy)acetamido)-4-phenylthiophene-3-carboxylate, methyl 2-[2-(4-nitrophenoxy)acetylamino]-4-phenylthiophene-3-carboxylate, methyl 2-{[(4-nitrophenoxy)acetyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C20H16N2O6S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.1274 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.0729 |
| Heavy Atoms | 29 |
| Complexity | 1030.8848 |
Chemical Identifiers
| CAS Number | 445006-80-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate (CAS 445006-80-4), with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol. IUPAC: methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate
Property Insights of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate
The XLogP value of 4.1274 indicates that Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate has 1 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 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate?
The CAS number of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate is 445006-80-4.
What is the molecular formula of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate is C20H16N2O6S.
What is the molecular weight of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate is 412.07 g/mol.
Where can I buy Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-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 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.