methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate
TL;DR: methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 557779-91-6) 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.
methyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate, methyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate, METHYL 4-ETHYL-5-METHYL-2-(2-METHYL-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, methyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrophenyl)carbonylamino]thiophene-3-c arboxylate, methyl 4-ethyl-5-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.87444 |
| 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 | 557779-91-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C |
Product Overview
methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 557779-91-6), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate
Property Insights of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate
The XLogP value of 3.87444 indicates that methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-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 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-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 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The CAS number of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate is 557779-91-6.
What is the molecular formula of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular formula of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate is C17H18N2O5S.
What is the molecular weight of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular weight of methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate is 362.09 g/mol.
Where can I buy methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
You can request a quote for methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-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 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-2-({3-nitro-2-methylbenzoyl}amino)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.