Heptyl p-hydroxybenzoate
TL;DR: Heptyl p-hydroxybenzoate (CAS 1085-12-7) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-hydroxybenzoate
Also Known As: Heptyl 4-hydroxybenzoate, Heptylparaben, Heptyl paraben, Nipaheptyl, Heptyl p-hydroxybenzoate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
| Melting Point | 49 - 51 °C |
| Solubility | 0.02 mg/mL at 30 °C |
Chemical Identifiers
| CAS Number | 1085-12-7 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | ZTJORNVITHUQJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl p-hydroxybenzoate (CAS 1085-12-7), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: heptyl 4-hydroxybenzoate.
Chemical Property Profile of Heptyl p-hydroxybenzoate
Property Insights of Heptyl p-hydroxybenzoate
The XLogP value of 4.8 indicates that Heptyl p-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, Heptyl p-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl p-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 Heptyl p-hydroxybenzoate?
The CAS number of Heptyl p-hydroxybenzoate is 1085-12-7.
What is the molecular formula of Heptyl p-hydroxybenzoate?
The molecular formula of Heptyl p-hydroxybenzoate is C14H20O3.
What is the molecular weight of Heptyl p-hydroxybenzoate?
The molecular weight of Heptyl p-hydroxybenzoate is 236.14 g/mol.
Where can I buy Heptyl p-hydroxybenzoate?
You can request a quote for Heptyl p-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl p-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl p-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.