Methyl 4-hexyloxybenzoate
TL;DR: Methyl 4-hexyloxybenzoate (CAS 50822-54-3) 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 4-hexoxybenzoate
Also Known As: Methyl 4-hexoxybenzoate, methyl 4-(hexyloxy)benzoate, METHYL 4-HEXYLOXYBENZOATE, Methyl4-hexyloxybenzoate, Methyl 4-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 | 329.8255 |
Chemical Identifiers
| CAS Number | 50822-54-3 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-hexyloxybenzoate (CAS 50822-54-3), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: methyl 4-hexoxybenzoate.
Chemical Property Profile of Methyl 4-hexyloxybenzoate
Property Insights of Methyl 4-hexyloxybenzoate
The XLogP value of 3.4323 indicates that Methyl 4-hexyloxybenzoate 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 4-hexyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-hexyloxybenzoate 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 4-hexyloxybenzoate?
The CAS number of Methyl 4-hexyloxybenzoate is 50822-54-3.
What is the molecular formula of Methyl 4-hexyloxybenzoate?
The molecular formula of Methyl 4-hexyloxybenzoate is C14H20O3.
What is the molecular weight of Methyl 4-hexyloxybenzoate?
The molecular weight of Methyl 4-hexyloxybenzoate is 236.14 g/mol.
Where can I buy Methyl 4-hexyloxybenzoate?
You can request a quote for Methyl 4-hexyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hexyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hexyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.