![3-[(3-ethynylphenyl)carbamoyl]propanoic Acid structure](/static/products/6758/675828-53-2.webp)
3-[(3-ethynylphenyl)carbamoyl]propanoic Acid
TL;DR: 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid (CAS 675828-53-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethynylanilino)-4-oxobutanoic acid
Also Known As: 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid, 4-((3-Ethynylphenyl)amino)-4-oxobutanoic acid, 4-(3-ethynylanilino)-4-oxobutanoic acid, 4-(3-ethynylanilino)-4-oxo-butanoic acid
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 675828-53-2 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NC(=O)CCC(=O)O |
| InChIKey | YDUYBQIPWBHCFY-UHFFFAOYSA-N |
Product Overview
3-[(3-ethynylphenyl)carbamoyl]propanoic Acid (CAS 675828-53-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 4-(3-ethynylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid
Property Insights of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid. Following Lipinski's Rule of Five, 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid has 2 hydrogen bond donor(s) and 3 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 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid?
The CAS number of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid is 675828-53-2.
What is the molecular formula of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid?
The molecular formula of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid is C12H11NO3.
What is the molecular weight of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid?
The molecular weight of 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid is 217.07 g/mol.
Where can I buy 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid?
You can request a quote for 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-ethynylphenyl)carbamoyl]propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.