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methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate
TL;DR: methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate (CAS 445013-55-8) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate, methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate, methyl 4-(3,4-dimethylphenyl)-2-(2-(4-nitrophenyl)acetamido)thiophene-3-carboxylate, methyl 4-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate, METHYL 4-(3,4-DIMETHYLPHENYL)-2-{[2-(4-NITROPHENYL)ACETYL]AMINO}-3-THIOPHENECARBOXYLATE
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 4.90794 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1119.0566 |
Chemical Identifiers
| CAS Number | 445013-55-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate (CAS 445013-55-8), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate
Property Insights of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate
The XLogP value of 4.90794 indicates that methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate 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 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate 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 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate is 445013-55-8.
What is the molecular formula of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate is C22H20N2O5S.
What is the molecular weight of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate is 424.11 g/mol.
Where can I buy methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-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 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.