Methyl 2-(hexyloxy)benzoate
TL;DR: Methyl 2-(hexyloxy)benzoate (CAS 56306-81-1) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hexoxybenzoate
Also Known As: methyl 2-(hexyloxy)benzoate, Methyl 2-hexoxybenzoate, methyl 2-hexyloxybenzoate, methyl2-(hexyloxy)benzoate, Methyl 2-n-hexyloxybenzoate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.4323 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 347.0755 |
Chemical Identifiers
| CAS Number | 56306-81-1 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-(hexyloxy)benzoate (CAS 56306-81-1), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: methyl 2-hexoxybenzoate.
Chemical Property Profile of Methyl 2-(hexyloxy)benzoate
Property Insights of Methyl 2-(hexyloxy)benzoate
The XLogP value of 3.4323 indicates that Methyl 2-(hexyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 2-(hexyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(hexyloxy)benzoate has 0 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 Methyl 2-(hexyloxy)benzoate?
The CAS number of Methyl 2-(hexyloxy)benzoate is 56306-81-1.
What is the molecular formula of Methyl 2-(hexyloxy)benzoate?
The molecular formula of Methyl 2-(hexyloxy)benzoate is C14H20O3.
What is the molecular weight of Methyl 2-(hexyloxy)benzoate?
The molecular weight of Methyl 2-(hexyloxy)benzoate is 236.14 g/mol.
Where can I buy Methyl 2-(hexyloxy)benzoate?
You can request a quote for Methyl 2-(hexyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(hexyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.