![Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate structure](/static/products/4782/478248-48-5.webp)
Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate
TL;DR: Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate (CAS 478248-48-5) is a chemical compound with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-nitro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: Bionet1_003824, 9P-530S, US11866416, Compound SN-I-217, methyl 4-(5-nitro-1-benzothiophene-2-amido)benzoate, methyl 4-[(5-nitro-1-benzothiophene-2-carbonyl)amino]benzoate
| Molecular Formula | C17H12N2O5S |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 3.8484 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0467 |
| Heavy Atoms | 25 |
| Complexity | 978.3718 |
Chemical Identifiers
| CAS Number | 478248-48-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate (CAS 478248-48-5), with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol. IUPAC: methyl 4-[(5-nitro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate
Property Insights of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate
The XLogP value of 3.8484 indicates that Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate 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-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate 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-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate?
The CAS number of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate is 478248-48-5.
What is the molecular formula of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate?
The molecular formula of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate is C17H12N2O5S.
What is the molecular weight of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate?
The molecular weight of Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate is 356.05 g/mol.
Where can I buy Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate?
You can request a quote for Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate 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-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(5-nitro-1-benzothiophen-2-yl)carbonyl]amino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.