Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 312505-91-2) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: A1923/0080872, ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate, ETHYL 4,5-DIMETHYL-2-(4-METHYL-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 4,5-dimethyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.01056 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 856.9634 |
Chemical Identifiers
| CAS Number | 312505-91-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] |
Product Overview
Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 312505-91-2), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.01056 indicates that Ethyl 2-({3-nitro-4-methylbenzoyl}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 Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-({3-nitro-4-methylbenzoyl}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 Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 312505-91-2.
What is the molecular formula of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is C17H18N2O5S.
What is the molecular weight of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 362.09 g/mol.
Where can I buy Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-({3-nitro-4-methylbenzoyl}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 Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({3-nitro-4-methylbenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.