5-Chloropentyl benzoate
TL;DR: 5-Chloropentyl benzoate (CAS 55092-47-2) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropentyl benzoate
Also Known As: 5-Chloropentyl benzoate, 1-benzoyloxy-5-chloropentane, epsilon-chloropentyl benzoate, Benzoic acid 5-chloropentyl ester, Benzoesaeure-(5-chlor-pentylester)
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.07605 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 55092-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCCl |
| InChIKey | XIOZPPYPTAEPGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloropentyl benzoate (CAS 55092-47-2), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: 5-chloropentyl benzoate.
Chemical Property Profile of 5-Chloropentyl benzoate
Property Insights of 5-Chloropentyl benzoate
The XLogP value of 4.3 indicates that 5-Chloropentyl 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, 5-Chloropentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloropentyl benzoate 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 5-Chloropentyl benzoate?
The CAS number of 5-Chloropentyl benzoate is 55092-47-2.
What is the molecular formula of 5-Chloropentyl benzoate?
The molecular formula of 5-Chloropentyl benzoate is C12H15ClO2.
What is the molecular weight of 5-Chloropentyl benzoate?
The molecular weight of 5-Chloropentyl benzoate is 226.08 g/mol.
Where can I buy 5-Chloropentyl benzoate?
You can request a quote for 5-Chloropentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloropentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloropentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.