![2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid structure](/static/products/3565/356541-05-4.webp)
2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
TL;DR: 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid (CAS 356541-05-4) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
Also Known As: 2-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid, 2-(N-{3-[N-(4-ethoxyphenyl)carbamoyl]propanoylamino}carbamoyl)benzoic acid, 2-({2-[4-(4-Ethoxyanilino)-4-oxobutanoyl]hydrazino}carbonyl)benzoic acid, 2-[[3-[(4-ethoxyphenyl)carbamoyl]propanoylamino]carbamoyl]benzoic Acid, 2-[(2-{4-[(4-ethoxyphenyl)amino]-4-oxobutanoyl}hydrazino)carbonyl]benzoic acid
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 1.9634 |
| Topological Polar Surface Area | 133.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 895.3445 |
Chemical Identifiers
| CAS Number | 356541-05-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid (CAS 356541-05-4), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: 2-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
Property Insights of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
The XLogP value of 1.9634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid. The TPSA of 133.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid has 4 hydrogen bond donor(s) and 5 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-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The CAS number of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is 356541-05-4.
What is the molecular formula of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The molecular formula of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is C20H21N3O6.
What is the molecular weight of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The molecular weight of 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is 399.14 g/mol.
Where can I buy 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
You can request a quote for 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]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-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[4-(4-Ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.