3-((Pentafluorophenyl)carbamoyl)propanoic acid
TL;DR: 3-((Pentafluorophenyl)carbamoyl)propanoic acid (CAS 438612-41-0) is a chemical compound with molecular formula C10H6F5NO3 and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid
Also Known As: 3-[(pentafluorophenyl)carbamoyl]propanoic acid, 4-oxo-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid, 3-((Pentafluorophenyl)carbamoyl)propanoic acid, 4-oxo-4-[(pentafluorophenyl)amino]butanoic acid, 3-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]propanoic Acid
| Molecular Formula | C10H6F5NO3 |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 2.1854 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0268 |
| Heavy Atoms | 19 |
| Complexity | 517.452 |
Chemical Identifiers
| CAS Number | 438612-41-0 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)NC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
3-((Pentafluorophenyl)carbamoyl)propanoic acid (CAS 438612-41-0), with molecular formula C10H6F5NO3 and molecular weight 283.03 g/mol. IUPAC: 4-oxo-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid.
Chemical Property Profile of 3-((Pentafluorophenyl)carbamoyl)propanoic acid
Property Insights of 3-((Pentafluorophenyl)carbamoyl)propanoic acid
The XLogP value of 2.1854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Pentafluorophenyl)carbamoyl)propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Pentafluorophenyl)carbamoyl)propanoic acid. Following Lipinski's Rule of Five, 3-((Pentafluorophenyl)carbamoyl)propanoic acid has 2 hydrogen bond donor(s) and 2 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-((Pentafluorophenyl)carbamoyl)propanoic acid?
The CAS number of 3-((Pentafluorophenyl)carbamoyl)propanoic acid is 438612-41-0.
What is the molecular formula of 3-((Pentafluorophenyl)carbamoyl)propanoic acid?
The molecular formula of 3-((Pentafluorophenyl)carbamoyl)propanoic acid is C10H6F5NO3.
What is the molecular weight of 3-((Pentafluorophenyl)carbamoyl)propanoic acid?
The molecular weight of 3-((Pentafluorophenyl)carbamoyl)propanoic acid is 283.03 g/mol.
Where can I buy 3-((Pentafluorophenyl)carbamoyl)propanoic acid?
You can request a quote for 3-((Pentafluorophenyl)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-((Pentafluorophenyl)carbamoyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Pentafluorophenyl)carbamoyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.