![2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid structure](/static/products/5564/5564-63-6.webp)
2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
TL;DR: 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid (CAS 5564-63-6) is a chemical compound with molecular formula C17H16N2O7S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid
Also Known As: BAS 00518530, 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid, 2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid, 6-{N-[3-(ethoxycarbonyl)-4,5-dimethyl(2-thienyl)]carbamoyl}-2-nitrobenzoic aci d
| Molecular Formula | C17H16N2O7S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 3.40034 |
| Topological Polar Surface Area | 135.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.0678 |
| Heavy Atoms | 27 |
| Complexity | 948.99884 |
Chemical Identifiers
| CAS Number | 5564-63-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid (CAS 5564-63-6), with molecular formula C17H16N2O7S and molecular weight 392.07 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid.
Chemical Property Profile of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
Property Insights of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
The XLogP value of 3.40034 indicates that 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid has 2 hydrogen bond donor(s) and 7 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 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid?
The CAS number of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid is 5564-63-6.
What is the molecular formula of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid?
The molecular formula of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid is C17H16N2O7S.
What is the molecular weight of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid?
The molecular weight of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid is 392.07 g/mol.
Where can I buy 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid?
You can request a quote for 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.