丁酸丙酯
TL;DR: 丁酸丙酯 (CAS 105-66-8) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸丙酯
propyl butanoate
Also Known As: Propyl butyrate, Propyl butanoate, Propyl n-butyrate, Butanoic acid, propyl ester, 1-Propyl butyrate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -95.2 °C |
| Boiling Point | 142.00 to 143.00 °C. @ 760.00 mm Hg |
| Density | 0.866 - 0.875 |
| Solubility | 1.62 mg/mL at 17 °C |
| Vapor Pressure | 5.95 [mmHg] |
| Refractive Index | 1.395-1.405 |
Chemical Identifiers
| CAS Number | 105-66-8 |
|---|---|
| SMILES | CCCC(=O)OCCC |
| InChIKey | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸丙酯 (CAS 105-66-8), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: propyl butanoate.
Chemical Property Profile of 丁酸丙酯
Property Insights of 丁酸丙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸丙酯 has 0 hydrogen bond donor(s) and 2 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 丁酸丙酯?
The CAS number of 丁酸丙酯 is 105-66-8.
What is the molecular formula of 丁酸丙酯?
The molecular formula of 丁酸丙酯 is C7H14O2.
What is the molecular weight of 丁酸丙酯?
The molecular weight of 丁酸丙酯 is 130.10 g/mol.
Where can I buy 丁酸丙酯?
You can request a quote for 丁酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.