Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-
TL;DR: Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- (CAS 50439-08-2) is a chemical compound with molecular formula C16H13FO4 and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: Acide (fluoro-4' phenacetyl)-5 orthocresotinique, Acide (fluoro-4' phenacetyl)-5 orthocresotinique [French], 2,3-CRESOTIC ACID, 5-((p-FLUOROPHENYL)ACETYL)-, 5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid, Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-
| Molecular Formula | C16H13FO4 |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.07977 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 50439-08-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C(=O)CC2=CC=C(C=C2)F |
| InChIKey | RWOCMBGJVOHSLJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- (CAS 50439-08-2), with molecular formula C16H13FO4 and molecular weight 288.08 g/mol. IUPAC: 5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-
Property Insights of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-
The XLogP value of 3.4 indicates that Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-. Following Lipinski's Rule of Five, Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- has 2 hydrogen bond donor(s) and 5 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 Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-?
The CAS number of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- is 50439-08-2.
What is the molecular formula of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-?
The molecular formula of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- is C16H13FO4.
What is the molecular weight of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-?
The molecular weight of Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- is 288.08 g/mol.
Where can I buy Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-?
You can request a quote for Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.