5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid
TL;DR: 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid (CAS 737771-76-5) is a chemical compound with molecular formula C12H14FNO3 and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
Also Known As: Maybridge3_005833, 5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid, IDI1_017220, 5-[(4-fluorophenyl)amino]-3-methyl-5-oxopentanoic acid, AS-662/43412923
| Molecular Formula | C12H14FNO3 |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 2.2651 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.09576 |
| Heavy Atoms | 17 |
| Complexity | 402.7167 |
Chemical Identifiers
| CAS Number | 737771-76-5 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=C(C=C1)F)CC(=O)O |
Product Overview
5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid (CAS 737771-76-5), with molecular formula C12H14FNO3 and molecular weight 239.10 g/mol. IUPAC: 5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid
Property Insights of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid
The XLogP value of 2.2651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(4-Fluoroanilino)-3-methyl-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-Fluoroanilino)-3-methyl-5-oxopentanoic acid?
The CAS number of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid is 737771-76-5.
What is the molecular formula of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid?
The molecular formula of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid is C12H14FNO3.
What is the molecular weight of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid?
The molecular weight of 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid is 239.10 g/mol.
Where can I buy 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid?
You can request a quote for 5-(4-Fluoroanilino)-3-methyl-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-Fluoroanilino)-3-methyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluoroanilino)-3-methyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.