4-Octylpyrocatechol
TL;DR: 4-Octylpyrocatechol (CAS 7580-46-3) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylbenzene-1,2-diol
Also Known As: 4-octylbenzene-1,2-diol, 4-Octylpyrocatechol, 1,2-Benzenediol,4-octyl-, 4-octylcatechol, 1,2-Benzenediol, 4-octyl-
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 7580-46-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C=C1)O)O |
| InChIKey | JHMFYGCCBMZPFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octylpyrocatechol (CAS 7580-46-3), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 4-octylbenzene-1,2-diol.
Chemical Property Profile of 4-Octylpyrocatechol
Property Insights of 4-Octylpyrocatechol
The XLogP value of 5.1 indicates that 4-Octylpyrocatechol 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-Octylpyrocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octylpyrocatechol 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-Octylpyrocatechol?
The CAS number of 4-Octylpyrocatechol is 7580-46-3.
What is the molecular formula of 4-Octylpyrocatechol?
The molecular formula of 4-Octylpyrocatechol is C14H22O2.
What is the molecular weight of 4-Octylpyrocatechol?
The molecular weight of 4-Octylpyrocatechol is 222.16 g/mol.
Where can I buy 4-Octylpyrocatechol?
You can request a quote for 4-Octylpyrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octylpyrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-Octylpyrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.