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Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 545350-33-2) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, methyl 4,5-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(2-(4-nitrophenyl)acetamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[2-(4-nitrophenyl)acetylamino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.24094 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 795.54425 |
Chemical Identifiers
| CAS Number | 545350-33-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 545350-33-2), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 3.24094 indicates that Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 545350-33-2.
What is the molecular formula of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is C16H16N2O5S.
What is the molecular weight of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 348.08 g/mol.
Where can I buy Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate 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-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[({4-nitrophenyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.