3-Ethoxy-2-(phenylmethoxy)benzoic acid
TL;DR: 3-Ethoxy-2-(phenylmethoxy)benzoic acid (CAS 861409-90-7) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2-phenylmethoxybenzoic acid
Also Known As: 3-Ethoxy-2-(phenylmethoxy)benzoic acid, 2-(benzyloxy)-3-ethoxybenzoic acid, 3-ethoxy-2-phenylmethoxybenzoic acid, 3-ethoxy-2-phenylmethoxy-benzoic Acid, Benzoic acid, 3-ethoxy-2-(phenylmethoxy)-
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.3625 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 578.28564 |
Chemical Identifiers
| CAS Number | 861409-90-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C(=O)O |
Product Overview
3-Ethoxy-2-(phenylmethoxy)benzoic acid (CAS 861409-90-7), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 3-ethoxy-2-phenylmethoxybenzoic acid.
Chemical Property Profile of 3-Ethoxy-2-(phenylmethoxy)benzoic acid
Property Insights of 3-Ethoxy-2-(phenylmethoxy)benzoic acid
The XLogP value of 3.3625 indicates that 3-Ethoxy-2-(phenylmethoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Ethoxy-2-(phenylmethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-2-(phenylmethoxy)benzoic acid has 1 hydrogen bond donor(s) and 3 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 3-Ethoxy-2-(phenylmethoxy)benzoic acid?
The CAS number of 3-Ethoxy-2-(phenylmethoxy)benzoic acid is 861409-90-7.
What is the molecular formula of 3-Ethoxy-2-(phenylmethoxy)benzoic acid?
The molecular formula of 3-Ethoxy-2-(phenylmethoxy)benzoic acid is C16H16O4.
What is the molecular weight of 3-Ethoxy-2-(phenylmethoxy)benzoic acid?
The molecular weight of 3-Ethoxy-2-(phenylmethoxy)benzoic acid is 272.10 g/mol.
Where can I buy 3-Ethoxy-2-(phenylmethoxy)benzoic acid?
You can request a quote for 3-Ethoxy-2-(phenylmethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2-(phenylmethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2-(phenylmethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.