己酸苯乙酯
TL;DR: 己酸苯乙酯 (CAS 5454-21-7) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸苯乙酯
benzyl heptanoate
Also Known As: Benzyl heptanoate, Benzyl n-heptanoate, Benzyl heptanoate #, Heptanoic acid, phenylmethyl ester, heptanoic acid benzyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5454-21-7 |
|---|---|
| SMILES | CCCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | UEDDAJQIHUEZCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸苯乙酯 (CAS 5454-21-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: benzyl heptanoate.
Chemical Property Profile of 己酸苯乙酯
Property Insights of 己酸苯乙酯
The XLogP value of 4.1 indicates that 己酸苯乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸苯乙酯 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 己酸苯乙酯?
The CAS number of 己酸苯乙酯 is 5454-21-7.
What is the molecular formula of 己酸苯乙酯?
The molecular formula of 己酸苯乙酯 is C14H20O2.
What is the molecular weight of 己酸苯乙酯?
The molecular weight of 己酸苯乙酯 is 220.15 g/mol.
Where can I buy 己酸苯乙酯?
You can request a quote for 己酸苯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.