Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate
TL;DR: Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate (CAS 85650-51-7) is a chemical compound with molecular formula C18H28O5 and molecular weight 324.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-hexoxy-2-hydroxypropoxy)benzoate
Also Known As: EINECS 288-059-0, Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate, ethyl 2-(3-hexoxy-2-hydroxypropoxy)benzoate, ETHYL 2-[3-(HEXYLOXY)-2-HYDROXYPROPOXY]BENZOATE, Benzoicacid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-, ethyl ester
| Molecular Formula | C18H28O5 |
|---|---|
| Molecular Weight | 324.19 g/mol |
| LogP | 3.1999 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 324.19366 |
| Heavy Atoms | 23 |
| Complexity | 446.79303 |
Chemical Identifiers
| CAS Number | 85650-51-7 |
|---|---|
| SMILES | CCCCCCOCC(COC1=CC=CC=C1C(=O)OCC)O |
Product Overview
Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate (CAS 85650-51-7), with molecular formula C18H28O5 and molecular weight 324.19 g/mol. IUPAC: ethyl 2-(3-hexoxy-2-hydroxypropoxy)benzoate.
Chemical Property Profile of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate
Property Insights of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate
The XLogP value of 3.1999 indicates that Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate?
The CAS number of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate is 85650-51-7.
What is the molecular formula of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate?
The molecular formula of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate is C18H28O5.
What is the molecular weight of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate?
The molecular weight of Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate is 324.19 g/mol.
Where can I buy Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate?
You can request a quote for Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(hexyloxy)-2-hydroxypropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.