3,5-二羟基戊苯
TL;DR: 3,5-二羟基戊苯 (CAS 500-66-3) 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.
3,5-二羟基戊苯
5-pentylbenzene-1,3-diol
Also Known As: OLIVETOL, 5-pentylbenzene-1,3-diol, 5-Pentylresorcinol, 5-n-Amylresorcinol, 5-n-Pentylresorcinol
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.6 |
| 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 | 126.0 |
| Melting Point | 48.9 °C |
| Boiling Point | 163.9 °C at 5 mmHg |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
Chemical Identifiers
| CAS Number | 500-66-3 |
|---|---|
| SMILES | CCCCCC1=CC(=CC(=C1)O)O |
| InChIKey | IRMPFYJSHJGOPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二羟基戊苯 (CAS 500-66-3), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 5-pentylbenzene-1,3-diol.
Chemical Property Profile of 3,5-二羟基戊苯
Property Insights of 3,5-二羟基戊苯
The XLogP value of 3.6 indicates that 3,5-二羟基戊苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-二羟基戊苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二羟基戊苯 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 3,5-二羟基戊苯?
The CAS number of 3,5-二羟基戊苯 is 500-66-3.
What is the molecular formula of 3,5-二羟基戊苯?
The molecular formula of 3,5-二羟基戊苯 is C11H16O2.
What is the molecular weight of 3,5-二羟基戊苯?
The molecular weight of 3,5-二羟基戊苯 is 180.12 g/mol.
Where can I buy 3,5-二羟基戊苯?
You can request a quote for 3,5-二羟基戊苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二羟基戊苯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二羟基戊苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.