Benzyl 5-chloropentanoate
TL;DR: Benzyl 5-chloropentanoate (CAS 56703-28-7) 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.
benzyl 5-chloropentanoate
Also Known As: Benzyl 5-chloropentanoate, Benzyl 5-chloropentanoate #, 5-Chloropentanoic acid, benzyl ester
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.8 |
| 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 | 56703-28-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCCl |
| InChIKey | UUQOLJJACPFTKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 5-chloropentanoate (CAS 56703-28-7), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: benzyl 5-chloropentanoate.
Chemical Property Profile of Benzyl 5-chloropentanoate
Property Insights of Benzyl 5-chloropentanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-chloropentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 5-chloropentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 5-chloropentanoate 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 Benzyl 5-chloropentanoate?
The CAS number of Benzyl 5-chloropentanoate is 56703-28-7.
What is the molecular formula of Benzyl 5-chloropentanoate?
The molecular formula of Benzyl 5-chloropentanoate is C12H15ClO2.
What is the molecular weight of Benzyl 5-chloropentanoate?
The molecular weight of Benzyl 5-chloropentanoate is 226.08 g/mol.
Where can I buy Benzyl 5-chloropentanoate?
You can request a quote for Benzyl 5-chloropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-chloropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-chloropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.