Heptyl benzoate
TL;DR: Heptyl benzoate (CAS 7155-12-6) 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.
heptyl benzoate
Also Known As: Heptyl benzoate, Heptylbenzoate, Benzoic acid, heptyl ester, n-heptyl benzoate, Heptyl benzoate #
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 5.2 |
| 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 | 7155-12-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | UMFTYCUYCNMERS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl benzoate (CAS 7155-12-6), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: heptyl benzoate.
Chemical Property Profile of Heptyl benzoate
Property Insights of Heptyl benzoate
The XLogP value of 5.2 indicates that Heptyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl benzoate?
The CAS number of Heptyl benzoate is 7155-12-6.
What is the molecular formula of Heptyl benzoate?
The molecular formula of Heptyl benzoate is C14H20O2.
What is the molecular weight of Heptyl benzoate?
The molecular weight of Heptyl benzoate is 220.15 g/mol.
Where can I buy Heptyl benzoate?
You can request a quote for Heptyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.