methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate
TL;DR: methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate (CAS 515151-03-8) is a chemical compound with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate, methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate, methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrophenyl)carbonylamino]thioph ene-3-carboxylate, methyl 4-(3,4-dimethoxyphenyl)-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H20N2O7S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 4.68782 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.09912 |
| Heavy Atoms | 32 |
| Complexity | 1202.9851 |
Chemical Identifiers
| CAS Number | 515151-03-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate (CAS 515151-03-8), with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol. IUPAC: methyl 4-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate
Property Insights of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate
The XLogP value of 4.68782 indicates that methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate 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-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate?
The CAS number of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate is 515151-03-8.
What is the molecular formula of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate?
The molecular formula of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate is C22H20N2O7S.
What is the molecular weight of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate?
The molecular weight of methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate is 456.10 g/mol.
Where can I buy methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate?
You can request a quote for methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-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 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3,4-dimethoxyphenyl)-2-({4-nitro-3-methylbenzoyl}amino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.