3-(4-Oxo-4-phenylbutanamido)propanoic acid
TL;DR: 3-(4-Oxo-4-phenylbutanamido)propanoic acid (CAS 874595-12-7) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-oxo-4-phenylbutanoyl)amino]propanoic acid
Also Known As: 3-(4-oxo-4-phenylbutanamido)propanoic acid, 3-[(4-oxo-4-phenylbutanoyl)amino]propanoic acid, 3-(4-oxo-4-phenylbutanamido)propanoicacid, 3-[(4-oxo-4-phenyl-butanoyl)amino]propanoic Acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.2404 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 427.8772 |
Chemical Identifiers
| CAS Number | 874595-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)NCCC(=O)O |
Product Overview
3-(4-Oxo-4-phenylbutanamido)propanoic acid (CAS 874595-12-7), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 3-[(4-oxo-4-phenylbutanoyl)amino]propanoic acid.
Chemical Property Profile of 3-(4-Oxo-4-phenylbutanamido)propanoic acid
Property Insights of 3-(4-Oxo-4-phenylbutanamido)propanoic acid
The XLogP value of 1.2404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Oxo-4-phenylbutanamido)propanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Oxo-4-phenylbutanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Oxo-4-phenylbutanamido)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-(4-Oxo-4-phenylbutanamido)propanoic acid?
The CAS number of 3-(4-Oxo-4-phenylbutanamido)propanoic acid is 874595-12-7.
What is the molecular formula of 3-(4-Oxo-4-phenylbutanamido)propanoic acid?
The molecular formula of 3-(4-Oxo-4-phenylbutanamido)propanoic acid is C13H15NO4.
What is the molecular weight of 3-(4-Oxo-4-phenylbutanamido)propanoic acid?
The molecular weight of 3-(4-Oxo-4-phenylbutanamido)propanoic acid is 249.10 g/mol.
Where can I buy 3-(4-Oxo-4-phenylbutanamido)propanoic acid?
You can request a quote for 3-(4-Oxo-4-phenylbutanamido)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-(4-Oxo-4-phenylbutanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Oxo-4-phenylbutanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.