5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid
TL;DR: 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid (CAS 545349-39-1) is a chemical compound with molecular formula C11H11BrFNO3 and molecular weight 302.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromo-2-fluoroanilino)-5-oxopentanoic acid
Also Known As: 5-(4-bromo-2-fluoroanilino)-5-oxopentanoic acid, 5-[(4-bromo-2-fluorophenyl)amino]-5-oxopentanoic acid, 4-[(4-bromo-2-fluoro-phenyl)carbamoyl]butanoic Acid, 4-[N-(4-bromo-2-fluorophenyl)carbamoyl]butanoic acid
| Molecular Formula | C11H11BrFNO3 |
|---|---|
| Molecular Weight | 302.99 g/mol |
| LogP | 2.7816 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.99063 |
| Heavy Atoms | 17 |
| Complexity | 436.72476 |
Chemical Identifiers
| CAS Number | 545349-39-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)F)NC(=O)CCCC(=O)O |
Product Overview
5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid (CAS 545349-39-1), with molecular formula C11H11BrFNO3 and molecular weight 302.99 g/mol. IUPAC: 5-(4-bromo-2-fluoroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid
Property Insights of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid
The XLogP value of 2.7816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic 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 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid?
The CAS number of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid is 545349-39-1.
What is the molecular formula of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid?
The molecular formula of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid is C11H11BrFNO3.
What is the molecular weight of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid?
The molecular weight of 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid is 302.99 g/mol.
Where can I buy 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid?
You can request a quote for 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromo-2-fluoroanilino)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.