Hexylparaben
TL;DR: Hexylparaben (CAS 1083-27-8) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-hydroxybenzoate
Also Known As: Hexyl 4-hydroxybenzoate, Hexylparaben, Hexyl p-hydroxybenzoate, Hexyl 4-hydroxybenzoat, p-Oxybenzoesaurehexylester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 1083-27-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | ULULAZKOCFNOIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexylparaben (CAS 1083-27-8), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: hexyl 4-hydroxybenzoate.
Chemical Property Profile of Hexylparaben
Property Insights of Hexylparaben
The XLogP value of 4.3 indicates that Hexylparaben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Hexylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexylparaben has 1 hydrogen bond donor(s) and 3 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 Hexylparaben?
The CAS number of Hexylparaben is 1083-27-8.
What is the molecular formula of Hexylparaben?
The molecular formula of Hexylparaben is C13H18O3.
What is the molecular weight of Hexylparaben?
The molecular weight of Hexylparaben is 222.13 g/mol.
Where can I buy Hexylparaben?
You can request a quote for Hexylparaben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexylparaben?
Yes, KEHONG BIO provides custom synthesis services for Hexylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.