Pentylresorcinol
TL;DR: Pentylresorcinol (CAS 533-24-4) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentylbenzene-1,3-diol
Also Known As: 4-Pentylresorcinol, Pentylresorcinol, 4-pentylbenzene-1,3-diol, 4-Amylresorcinol, Normalamylresorcinol
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 533-24-4 |
|---|---|
| SMILES | CCCCCC1=C(C=C(C=C1)O)O |
| InChIKey | PJHYOCWMKYASAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentylresorcinol (CAS 533-24-4), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 4-pentylbenzene-1,3-diol.
Chemical Property Profile of Pentylresorcinol
Property Insights of Pentylresorcinol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentylresorcinol. With a topological polar surface area (TPSA) of 40.5 Ų, Pentylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentylresorcinol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentylresorcinol?
The CAS number of Pentylresorcinol is 533-24-4.
What is the molecular formula of Pentylresorcinol?
The molecular formula of Pentylresorcinol is C11H16O2.
What is the molecular weight of Pentylresorcinol?
The molecular weight of Pentylresorcinol is 180.12 g/mol.
Where can I buy Pentylresorcinol?
You can request a quote for Pentylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for Pentylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.