![2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid structure](/static/products/312/312939-82-5.png)
2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid
TL;DR: 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid (CAS 312939-82-5) is a chemical compound with molecular formula C27H21NO5S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic acid
Also Known As: 2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic Acid, 2-((4-([1,1'-biphenyl]-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid, 2-{[4-(biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid, 4-Biphenyl-4-yl-2-(2-carboxy-benzoylamino)-5-methylthiophene-3-carboxylic acid ethyl ester, 2-[(4-{[1,1'-BIPHENYL]-4-YL}-3-(ETHOXYCARBONYL)THIOPHEN-2-YL)CARBAMOYL]BENZOIC ACID
| Molecular Formula | C27H21NO5S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 6.2093 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.11404 |
| Heavy Atoms | 34 |
| Complexity | 1343.2153 |
Chemical Identifiers
| CAS Number | 312939-82-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C(=O)O |
Product Overview
2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid (CAS 312939-82-5), with molecular formula C27H21NO5S and molecular weight 471.11 g/mol. IUPAC: 2-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid
Property Insights of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid
The XLogP value of 6.2093 indicates that 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid?
The CAS number of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid is 312939-82-5.
What is the molecular formula of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid?
The molecular formula of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid is C27H21NO5S.
What is the molecular weight of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid?
The molecular weight of 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid is 471.11 g/mol.
Where can I buy 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid?
You can request a quote for 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.