methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444932-58-5) is a chemical compound with molecular formula C21H18N2O6S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate, methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate, METHYL 4-(4-METHOXYPHENYL)-5-METHYL-2-(4-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, METHYL 4-(4-METHOXYPHENYL)-5-METHYL-2-[(4-NITROBENZOYL)AMINO]-3-THIOPHENECARBOXYLATE, methyl 4-(4-methoxyphenyl)-5-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O6S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 4.67922 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.08856 |
| Heavy Atoms | 30 |
| Complexity | 1103.7753 |
Chemical Identifiers
| CAS Number | 444932-58-5 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444932-58-5), with molecular formula C21H18N2O6S and molecular weight 426.09 g/mol. IUPAC: methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 4.67922 indicates that methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate 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-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate 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-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate is 444932-58-5.
What is the molecular formula of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate is C21H18N2O6S.
What is the molecular weight of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate is 426.09 g/mol.
Where can I buy methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-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-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({4-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.