Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-
TL;DR: Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- (CAS 54301-66-5) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(2-phenylpropan-2-yl)benzoic acid
Also Known As: 2-hydroxy-5-(2-phenylpropan-2-yl)benzoic acid, Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-, 2-hydroxy-5-(1-methyl-1-phenylethyl)benzoic acid, 5-(alpha, alpha-dimethylbenzyl)salicylic acid, J2.299.338K
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 54301-66-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(=O)O |
| InChIKey | PSDGDNGXVIPBLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- (CAS 54301-66-5), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2-hydroxy-5-(2-phenylpropan-2-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-
Property Insights of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-
The XLogP value of 5.2 indicates that Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-?
The CAS number of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- is 54301-66-5.
What is the molecular formula of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-?
The molecular formula of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- is C16H16O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-?
The molecular weight of Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- is 256.11 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-?
You can request a quote for Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.