Octadecyl 3-(4-hydroxyphenyl)propanoate
TL;DR: Octadecyl 3-(4-hydroxyphenyl)propanoate (CAS 42933-23-3) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-(4-hydroxyphenyl)propanoate
Also Known As: Octadecyl 3-(4-hydroxyphenyl)propanoate, Octadecyl 3-(4'-hydroxyphenyl)propanoate, Octadecyl 3-(4-hydroxyphenyl)propanoate #
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 42933-23-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC=C(C=C1)O |
| InChIKey | OBYWBISWWBUSET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl 3-(4-hydroxyphenyl)propanoate (CAS 42933-23-3), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: octadecyl 3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Octadecyl 3-(4-hydroxyphenyl)propanoate
Property Insights of Octadecyl 3-(4-hydroxyphenyl)propanoate
The XLogP value of 10.5 indicates that Octadecyl 3-(4-hydroxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octadecyl 3-(4-hydroxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 3-(4-hydroxyphenyl)propanoate has 1 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 Octadecyl 3-(4-hydroxyphenyl)propanoate?
The CAS number of Octadecyl 3-(4-hydroxyphenyl)propanoate is 42933-23-3.
What is the molecular formula of Octadecyl 3-(4-hydroxyphenyl)propanoate?
The molecular formula of Octadecyl 3-(4-hydroxyphenyl)propanoate is C27H46O3.
What is the molecular weight of Octadecyl 3-(4-hydroxyphenyl)propanoate?
The molecular weight of Octadecyl 3-(4-hydroxyphenyl)propanoate is 418.34 g/mol.
Where can I buy Octadecyl 3-(4-hydroxyphenyl)propanoate?
You can request a quote for Octadecyl 3-(4-hydroxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 3-(4-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 3-(4-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.