Benzyl 5-bromopentanoate
TL;DR: Benzyl 5-bromopentanoate (CAS 60343-28-4) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-bromopentanoate
Also Known As: Benzyl 5-bromopentanoate, BENZYL 5-BROMOVALERATE, 5-Bromopentanoic acid phenylmethyl ester, 5-bromopentanoic acid benzyl ester, Benzyl 5-bromopentanoate #
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 60343-28-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCBr |
| InChIKey | NFIVNRVBVQXAAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 5-bromopentanoate (CAS 60343-28-4), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: benzyl 5-bromopentanoate.
Chemical Property Profile of Benzyl 5-bromopentanoate
Property Insights of Benzyl 5-bromopentanoate
The XLogP value of 3.0 indicates that Benzyl 5-bromopentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 5-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 5-bromopentanoate 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-bromopentanoate?
The CAS number of Benzyl 5-bromopentanoate is 60343-28-4.
What is the molecular formula of Benzyl 5-bromopentanoate?
The molecular formula of Benzyl 5-bromopentanoate is C12H15BrO2.
What is the molecular weight of Benzyl 5-bromopentanoate?
The molecular weight of Benzyl 5-bromopentanoate is 270.03 g/mol.
Where can I buy Benzyl 5-bromopentanoate?
You can request a quote for Benzyl 5-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.