![Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate structure](/static/products/3142/314283-58-4.webp)
Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate
TL;DR: Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate (CAS 314283-58-4) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: BAS 00781765, BIM-0042120.P001, methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]-3-thiophenecarboxylate, methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate, methyl 2-[({2-nitrophenyl}carbonyl)amino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxylate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 4.59442 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1075.9304 |
Chemical Identifiers
| CAS Number | 314283-58-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3 |
Product Overview
Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate (CAS 314283-58-4), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate
Property Insights of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate
The XLogP value of 4.59442 indicates that Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]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 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]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 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate?
The CAS number of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate is 314283-58-4.
What is the molecular formula of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate?
The molecular formula of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate is C21H18N2O5S.
What is the molecular weight of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate?
The molecular weight of Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate is 410.09 g/mol.
Where can I buy Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate?
You can request a quote for Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]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 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-benzyl-4-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.