没食子酸辛酯
TL;DR: 没食子酸辛酯 (CAS 1034-01-1) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
没食子酸辛酯
octyl 3,4,5-trihydroxybenzoate
Also Known As: Octyl gallate, n-Octyl gallate, Octyl 3,4,5-trihydroxybenzoate, Progallin O, Stabilizer GA 8
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
| Melting Point | Between 99 °C and 102 °C after drying at 90 °C for six hours |
| Solubility | Insoluble in water, freely soluble in ethanol, ether and propane-1,2-diol |
Chemical Identifiers
| CAS Number | 1034-01-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | NRPKURNSADTHLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
没食子酸辛酯 (CAS 1034-01-1), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: octyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 没食子酸辛酯
Property Insights of 没食子酸辛酯
The XLogP value of 3.7 indicates that 没食子酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 没食子酸辛酯. Following Lipinski's Rule of Five, 没食子酸辛酯 has 3 hydrogen bond donor(s) and 5 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 没食子酸辛酯?
The CAS number of 没食子酸辛酯 is 1034-01-1.
What is the molecular formula of 没食子酸辛酯?
The molecular formula of 没食子酸辛酯 is C15H22O5.
What is the molecular weight of 没食子酸辛酯?
The molecular weight of 没食子酸辛酯 is 282.15 g/mol.
Where can I buy 没食子酸辛酯?
You can request a quote for 没食子酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 没食子酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 没食子酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.