庚酸丙酯
TL;DR: 庚酸丙酯 (CAS 7778-87-2) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸丙酯
propyl heptanoate
Also Known As: Propyl heptanoate, Propyl heptoate, Propyl heptylate, Heptanoic acid, propyl ester, n-propyl heptanoate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 7778-87-2 |
|---|---|
| SMILES | CCCCCCC(=O)OCCC |
| InChIKey | UWZVPQKWYFZLLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸丙酯 (CAS 7778-87-2), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: propyl heptanoate.
Chemical Property Profile of 庚酸丙酯
Property Insights of 庚酸丙酯
The XLogP value of 3.5 indicates that 庚酸丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸丙酯 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 庚酸丙酯?
The CAS number of 庚酸丙酯 is 7778-87-2.
What is the molecular formula of 庚酸丙酯?
The molecular formula of 庚酸丙酯 is C10H20O2.
What is the molecular weight of 庚酸丙酯?
The molecular weight of 庚酸丙酯 is 172.15 g/mol.
Where can I buy 庚酸丙酯?
You can request a quote for 庚酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.