4-(Benzyloxy)-2,6-dimethylbenzoic acid
TL;DR: 4-(Benzyloxy)-2,6-dimethylbenzoic acid (CAS 95741-45-0) 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.
2,6-dimethyl-4-phenylmethoxybenzoic acid
Also Known As: 4-(benzyloxy)-2,6-dimethylbenzoic acid, 2,6-dimethyl-4-phenylmethoxybenzoic acid, Benzoic acid, 2,6-dimethyl-4-(phenylmethoxy)-, 4-benzyloxy-2,6-dimethyl-benzoic acid, 2,6-dimethyl-4-phenylmethoxy-benzoic Acid
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.58064 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 565.19305 |
Chemical Identifiers
| CAS Number | 95741-45-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)C)OCC2=CC=CC=C2 |
Product Overview
4-(Benzyloxy)-2,6-dimethylbenzoic acid (CAS 95741-45-0), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2,6-dimethyl-4-phenylmethoxybenzoic acid.
Chemical Property Profile of 4-(Benzyloxy)-2,6-dimethylbenzoic acid
Property Insights of 4-(Benzyloxy)-2,6-dimethylbenzoic acid
The XLogP value of 3.58064 indicates that 4-(Benzyloxy)-2,6-dimethylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(Benzyloxy)-2,6-dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)-2,6-dimethylbenzoic acid has 1 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 4-(Benzyloxy)-2,6-dimethylbenzoic acid?
The CAS number of 4-(Benzyloxy)-2,6-dimethylbenzoic acid is 95741-45-0.
What is the molecular formula of 4-(Benzyloxy)-2,6-dimethylbenzoic acid?
The molecular formula of 4-(Benzyloxy)-2,6-dimethylbenzoic acid is C16H16O3.
What is the molecular weight of 4-(Benzyloxy)-2,6-dimethylbenzoic acid?
The molecular weight of 4-(Benzyloxy)-2,6-dimethylbenzoic acid is 256.11 g/mol.
Where can I buy 4-(Benzyloxy)-2,6-dimethylbenzoic acid?
You can request a quote for 4-(Benzyloxy)-2,6-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.