4-Octadecylbenzene-1,3-diol
TL;DR: 4-Octadecylbenzene-1,3-diol (CAS 21199-41-7) is a chemical compound with molecular formula C24H42O2 and molecular weight 362.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octadecylbenzene-1,3-diol
Also Known As: 4-octadecylbenzene-1,3-diol, 4-stearyl-resorcinol, 4-octadecyl-resorcinol
| Molecular Formula | C24H42O2 |
|---|---|
| Molecular Weight | 362.32 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 362.31848 |
| Heavy Atoms | 26 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 21199-41-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)O)O |
| InChIKey | LWWXYKKZEDHOSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octadecylbenzene-1,3-diol (CAS 21199-41-7), with molecular formula C24H42O2 and molecular weight 362.32 g/mol. IUPAC: 4-octadecylbenzene-1,3-diol.
Chemical Property Profile of 4-Octadecylbenzene-1,3-diol
Property Insights of 4-Octadecylbenzene-1,3-diol
The XLogP value of 9.9 indicates that 4-Octadecylbenzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Octadecylbenzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octadecylbenzene-1,3-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Octadecylbenzene-1,3-diol?
The CAS number of 4-Octadecylbenzene-1,3-diol is 21199-41-7.
What is the molecular formula of 4-Octadecylbenzene-1,3-diol?
The molecular formula of 4-Octadecylbenzene-1,3-diol is C24H42O2.
What is the molecular weight of 4-Octadecylbenzene-1,3-diol?
The molecular weight of 4-Octadecylbenzene-1,3-diol is 362.32 g/mol.
Where can I buy 4-Octadecylbenzene-1,3-diol?
You can request a quote for 4-Octadecylbenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octadecylbenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Octadecylbenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.