Pentyl 4-hydroxybenzoate
TL;DR: Pentyl 4-hydroxybenzoate (CAS 6521-29-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-hydroxybenzoate
Also Known As: Pentyl 4-hydroxybenzoate, Pentyl Paraben, Pentylparaben, Amyl 4-hydroxybenzoate, Amylparaben
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6521-29-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | ZNSSPLQZSUWFJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 4-hydroxybenzoate (CAS 6521-29-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: pentyl 4-hydroxybenzoate.
Chemical Property Profile of Pentyl 4-hydroxybenzoate
Property Insights of Pentyl 4-hydroxybenzoate
The XLogP value of 3.8 indicates that Pentyl 4-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Pentyl 4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 4-hydroxybenzoate 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 Pentyl 4-hydroxybenzoate?
The CAS number of Pentyl 4-hydroxybenzoate is 6521-29-5.
What is the molecular formula of Pentyl 4-hydroxybenzoate?
The molecular formula of Pentyl 4-hydroxybenzoate is C12H16O3.
What is the molecular weight of Pentyl 4-hydroxybenzoate?
The molecular weight of Pentyl 4-hydroxybenzoate is 208.11 g/mol.
Where can I buy Pentyl 4-hydroxybenzoate?
You can request a quote for Pentyl 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.