没食子酸丙酯
TL;DR: 没食子酸丙酯 (CAS 121-79-9) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
没食子酸丙酯
propyl 3,4,5-trihydroxybenzoate
Also Known As: propyl gallate, Propyl 3,4,5-trihydroxybenzoate, N-Propyl gallate, Progallin P, Nipagallin P
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| Melting Point | 150.0 °C |
| Boiling Point | Decomposes |
| Density | 1.21 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 186.7 °C |
Chemical Identifiers
| CAS Number | 121-79-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
没食子酸丙酯 (CAS 121-79-9), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: propyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 没食子酸丙酯
Property Insights of 没食子酸丙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 没食子酸丙酯. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 没食子酸丙酯. Following Lipinski's Rule of Five, 没食子酸丙酯 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 没食子酸丙酯?
The CAS number of 没食子酸丙酯 is 121-79-9.
What is the molecular formula of 没食子酸丙酯?
The molecular formula of 没食子酸丙酯 is C10H12O5.
What is the molecular weight of 没食子酸丙酯?
The molecular weight of 没食子酸丙酯 is 212.07 g/mol.
Where can I buy 没食子酸丙酯?
You can request a quote for 没食子酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 没食子酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 没食子酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.