Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate
TL;DR: Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate (CAS 438609-05-3) is a chemical compound with molecular formula C15H14N2O5S and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: BAS 00541453, methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate, F2590-1495, methyl 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[(2-nitrophenyl)carbonylamino]thiophene-3-carboxylate
| Molecular Formula | C15H14N2O5S |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 3.31204 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.06235 |
| Heavy Atoms | 23 |
| Complexity | 797.1601 |
Chemical Identifiers
| CAS Number | 438609-05-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate (CAS 438609-05-3), with molecular formula C15H14N2O5S and molecular weight 334.06 g/mol. IUPAC: methyl 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate
Property Insights of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate
The XLogP value of 3.31204 indicates that Methyl 4,5-dimethyl-2-(2-nitrobenzamido)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 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-(2-nitrobenzamido)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 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate?
The CAS number of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate is 438609-05-3.
What is the molecular formula of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate is C15H14N2O5S.
What is the molecular weight of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate is 334.06 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-(2-nitrobenzamido)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 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-(2-nitrobenzamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.