2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
TL;DR: 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid (CAS 50439-07-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
Also Known As: 2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid, 5-(2-Phenylbutyryl)-2,3-cresotic acid, 2-Hydroxy-3-methyl-5- benzoicacid, 3,4-Dimethyldesoxybenzoin-2'-carbonsaeure, 2,3-CRESOTIC ACID, 5-(2-PHENYLBUTYRYL)-
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 50439-07-1 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)C2=CC(=C(C(=C2)C)O)C(=O)O |
| InChIKey | GQUAGNLRQXBIPW-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid (CAS 50439-07-1), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid.
Chemical Property Profile of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
Property Insights of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid
The XLogP value of 4.2 indicates that 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid 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 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid?
The CAS number of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid is 50439-07-1.
What is the molecular formula of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid?
The molecular formula of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid is C18H18O4.
What is the molecular weight of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid?
The molecular weight of 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid is 298.12 g/mol.
Where can I buy 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid?
You can request a quote for 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-methyl-5-(2-phenylbutanoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.