Methyl 4-bromopentanoate
TL;DR: Methyl 4-bromopentanoate (CAS 75411-76-6) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromopentanoate
Also Known As: Methyl 4-bromopentanoate, methyl4-bromopentanoate, methyl 4-bromovalerate, Methyl 4-bromopentanoate #, 4-bromopentanoic acid methyl ester
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 75411-76-6 |
|---|---|
| SMILES | CC(CCC(=O)OC)Br |
| InChIKey | PUULUFJRBAIMQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-bromopentanoate (CAS 75411-76-6), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: methyl 4-bromopentanoate.
Chemical Property Profile of Methyl 4-bromopentanoate
Property Insights of Methyl 4-bromopentanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromopentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-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 Methyl 4-bromopentanoate?
The CAS number of Methyl 4-bromopentanoate is 75411-76-6.
What is the molecular formula of Methyl 4-bromopentanoate?
The molecular formula of Methyl 4-bromopentanoate is C6H11BrO2.
What is the molecular weight of Methyl 4-bromopentanoate?
The molecular weight of Methyl 4-bromopentanoate is 193.99 g/mol.
Where can I buy Methyl 4-bromopentanoate?
You can request a quote for Methyl 4-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.