Methyl 4-(octadecyloxy)benzoate
TL;DR: Methyl 4-(octadecyloxy)benzoate (CAS 40654-37-3) is a chemical compound with molecular formula C26H44O3 and molecular weight 404.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-octadecoxybenzoate
Also Known As: Methyl 4-octadecoxybenzoate, Methyl-4-octadecyloxy-benzoate, METHYL 4-(OCTADECYLOXY)BENZOATE, methyl 4-octadecyloxybenzoate, 4-octadecyloxy-benzoic acid methyl ester
| Molecular Formula | C26H44O3 |
|---|---|
| Molecular Weight | 404.33 g/mol |
| LogP | 8.1135 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 404.32904 |
| Heavy Atoms | 29 |
| Complexity | 495.17984 |
Chemical Identifiers
| CAS Number | 40654-37-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-(octadecyloxy)benzoate (CAS 40654-37-3), with molecular formula C26H44O3 and molecular weight 404.33 g/mol. IUPAC: methyl 4-octadecoxybenzoate.
Chemical Property Profile of Methyl 4-(octadecyloxy)benzoate
Property Insights of Methyl 4-(octadecyloxy)benzoate
The XLogP value of 8.1135 indicates that Methyl 4-(octadecyloxy)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 4-(octadecyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(octadecyloxy)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(octadecyloxy)benzoate?
The CAS number of Methyl 4-(octadecyloxy)benzoate is 40654-37-3.
What is the molecular formula of Methyl 4-(octadecyloxy)benzoate?
The molecular formula of Methyl 4-(octadecyloxy)benzoate is C26H44O3.
What is the molecular weight of Methyl 4-(octadecyloxy)benzoate?
The molecular weight of Methyl 4-(octadecyloxy)benzoate is 404.33 g/mol.
Where can I buy Methyl 4-(octadecyloxy)benzoate?
You can request a quote for Methyl 4-(octadecyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(octadecyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(octadecyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.