3-Pentadecylcatechol
TL;DR: 3-Pentadecylcatechol (CAS 492-89-7) is a chemical compound with molecular formula C21H36O2 and molecular weight 320.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pentadecylbenzene-1,2-diol
Also Known As: 3-Pentadecylcatechol, Dihydrorhengol, Hydrourushiol, Tetrahydrourushiol, Hydroureshiol
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 492-89-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O |
| InChIKey | DQTMTQZSOJMZSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentadecylcatechol (CAS 492-89-7), with molecular formula C21H36O2 and molecular weight 320.27 g/mol. IUPAC: 3-pentadecylbenzene-1,2-diol.
Chemical Property Profile of 3-Pentadecylcatechol
Property Insights of 3-Pentadecylcatechol
The XLogP value of 9.0 indicates that 3-Pentadecylcatechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Pentadecylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentadecylcatechol 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 3-Pentadecylcatechol?
The CAS number of 3-Pentadecylcatechol is 492-89-7.
What is the molecular formula of 3-Pentadecylcatechol?
The molecular formula of 3-Pentadecylcatechol is C21H36O2.
What is the molecular weight of 3-Pentadecylcatechol?
The molecular weight of 3-Pentadecylcatechol is 320.27 g/mol.
Where can I buy 3-Pentadecylcatechol?
You can request a quote for 3-Pentadecylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentadecylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentadecylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.