Propyl 2,5-dihydroxybenzoate
TL;DR: Propyl 2,5-dihydroxybenzoate (CAS 5215-63-4) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,5-dihydroxybenzoate
Also Known As: propyl gentisate, propyl 2,5-dihydroxybenzoate, n-propyl 2,5-dihydroxybenzoate, 2,5-dihydroxybenzoic acid propyl ester, 2,5-dihydroxy-benzoic acid propyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5215-63-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C=CC(=C1)O)O |
| InChIKey | CQERDQMXNQIBKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2,5-dihydroxybenzoate (CAS 5215-63-4), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: propyl 2,5-dihydroxybenzoate.
Chemical Property Profile of Propyl 2,5-dihydroxybenzoate
Property Insights of Propyl 2,5-dihydroxybenzoate
The XLogP value of 3.4 indicates that Propyl 2,5-dihydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2,5-dihydroxybenzoate. Following Lipinski's Rule of Five, Propyl 2,5-dihydroxybenzoate has 2 hydrogen bond donor(s) and 4 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 Propyl 2,5-dihydroxybenzoate?
The CAS number of Propyl 2,5-dihydroxybenzoate is 5215-63-4.
What is the molecular formula of Propyl 2,5-dihydroxybenzoate?
The molecular formula of Propyl 2,5-dihydroxybenzoate is C10H12O4.
What is the molecular weight of Propyl 2,5-dihydroxybenzoate?
The molecular weight of Propyl 2,5-dihydroxybenzoate is 196.07 g/mol.
Where can I buy Propyl 2,5-dihydroxybenzoate?
You can request a quote for Propyl 2,5-dihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2,5-dihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2,5-dihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.