Octyl 2-hydroxy-5-methoxybenzoate
TL;DR: Octyl 2-hydroxy-5-methoxybenzoate (CAS 67398-41-8) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-hydroxy-5-methoxybenzoate
Also Known As: Octyl 2-hydroxy-5-methoxybenzoate, m-Anisic acid, 6-hydroxy-, octyl ester, Benzoic acid, 2-hydroxy-5-methoxy-, octyl ester, Hydroxy-2 methoxy-5 benzoate de n-octyle, OCTYL 5-METHOXY-2-OXIDANYL-BENZOATE
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 67398-41-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=C(C=CC(=C1)OC)O |
| InChIKey | IVWRXWGNNXFFOH-UHFFFAOYSA-N |
Product Overview
Octyl 2-hydroxy-5-methoxybenzoate (CAS 67398-41-8), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: octyl 2-hydroxy-5-methoxybenzoate.
Chemical Property Profile of Octyl 2-hydroxy-5-methoxybenzoate
Property Insights of Octyl 2-hydroxy-5-methoxybenzoate
The XLogP value of 5.4 indicates that Octyl 2-hydroxy-5-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Octyl 2-hydroxy-5-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-hydroxy-5-methoxybenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl 2-hydroxy-5-methoxybenzoate?
The CAS number of Octyl 2-hydroxy-5-methoxybenzoate is 67398-41-8.
What is the molecular formula of Octyl 2-hydroxy-5-methoxybenzoate?
The molecular formula of Octyl 2-hydroxy-5-methoxybenzoate is C16H24O4.
What is the molecular weight of Octyl 2-hydroxy-5-methoxybenzoate?
The molecular weight of Octyl 2-hydroxy-5-methoxybenzoate is 280.17 g/mol.
Where can I buy Octyl 2-hydroxy-5-methoxybenzoate?
You can request a quote for Octyl 2-hydroxy-5-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-hydroxy-5-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-hydroxy-5-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.