己酸丙酯
TL;DR: 己酸丙酯 (CAS 626-77-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸丙酯
propyl hexanoate
Also Known As: PROPYL HEXANOATE, Propyl caproate, Caproic acid propyl ester, n-Propyl hexanoate, Hexanoic acid, propyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -69 °C |
| Boiling Point | 184.00 to 187.00 °C. @ 760.00 mm Hg |
| Density | 0.865-0.871 |
| Solubility | soluble in alcohol; insoluble in water |
| Refractive Index | 1.409-1.413 |
Chemical Identifiers
| CAS Number | 626-77-7 |
|---|---|
| SMILES | CCCCCC(=O)OCCC |
| InChIKey | HTUIWRWYYVBCFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸丙酯 (CAS 626-77-7), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: propyl hexanoate.
Chemical Property Profile of 己酸丙酯
Property Insights of 己酸丙酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酸丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸丙酯 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 己酸丙酯?
The CAS number of 己酸丙酯 is 626-77-7.
What is the molecular formula of 己酸丙酯?
The molecular formula of 己酸丙酯 is C9H18O2.
What is the molecular weight of 己酸丙酯?
The molecular weight of 己酸丙酯 is 158.13 g/mol.
Where can I buy 己酸丙酯?
You can request a quote for 己酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.