尼泊金丙酯
TL;DR: 尼泊金丙酯 (CAS 94-13-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼泊金丙酯
propyl 4-hydroxybenzoate
Also Known As: PROPYLPARABEN, Propyl 4-hydroxybenzoate, Propyl paraben, Nipasol, Propagin
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 203 to 97.8 °C |
| Boiling Point | 132.8 °C at 1 mmHg |
| Density | 1.28 at 25.0 °C |
| Solubility | less than 1 mg/mL at 54 °F (NTP, 1992) |
| Vapor Pressure | 0.000555 [mmHg] |
| Refractive Index | 1.5050 at 102 °C |
Chemical Identifiers
| CAS Number | 94-13-3 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | QELSKZZBTMNZEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼泊金丙酯 (CAS 94-13-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: propyl 4-hydroxybenzoate.
Chemical Property Profile of 尼泊金丙酯
Property Insights of 尼泊金丙酯
The XLogP value of 3.0 indicates that 尼泊金丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 尼泊金丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 尼泊金丙酯 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 尼泊金丙酯?
The CAS number of 尼泊金丙酯 is 94-13-3.
What is the molecular formula of 尼泊金丙酯?
The molecular formula of 尼泊金丙酯 is C10H12O3.
What is the molecular weight of 尼泊金丙酯?
The molecular weight of 尼泊金丙酯 is 180.08 g/mol.
Where can I buy 尼泊金丙酯?
You can request a quote for 尼泊金丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼泊金丙酯?
Yes, KEHONG BIO provides custom synthesis services for 尼泊金丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.