3-Pentadec-8,11,13-trienylcatechol
TL;DR: 3-Pentadec-8,11,13-trienylcatechol (CAS 21104-16-5) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pentadeca-8,11,13-trienylbenzene-1,2-diol
Also Known As: Urushiol IV (C15:3), 3-Pentadec-8,11,13-trienylcatechol, 3-[(8E,11E,13E)-pentadeca-8,11,13-trienyl]benzene-1,2-diol
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 6.0595 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 512.5729 |
Chemical Identifiers
| CAS Number | 21104-16-5 |
|---|---|
| SMILES | CC=CC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O |
Product Overview
3-Pentadec-8,11,13-trienylcatechol (CAS 21104-16-5), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 3-pentadeca-8,11,13-trienylbenzene-1,2-diol.
Chemical Property Profile of 3-Pentadec-8,11,13-trienylcatechol
Property Insights of 3-Pentadec-8,11,13-trienylcatechol
The XLogP value of 6.0595 indicates that 3-Pentadec-8,11,13-trienylcatechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3-Pentadec-8,11,13-trienylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentadec-8,11,13-trienylcatechol 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-Pentadec-8,11,13-trienylcatechol?
The CAS number of 3-Pentadec-8,11,13-trienylcatechol is 21104-16-5.
What is the molecular formula of 3-Pentadec-8,11,13-trienylcatechol?
The molecular formula of 3-Pentadec-8,11,13-trienylcatechol is C21H30O2.
What is the molecular weight of 3-Pentadec-8,11,13-trienylcatechol?
The molecular weight of 3-Pentadec-8,11,13-trienylcatechol is 314.22 g/mol.
Where can I buy 3-Pentadec-8,11,13-trienylcatechol?
You can request a quote for 3-Pentadec-8,11,13-trienylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentadec-8,11,13-trienylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentadec-8,11,13-trienylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.