Methyl 4-bromobutyrate
TL;DR: Methyl 4-bromobutyrate (CAS 4897-84-1) is a chemical compound with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromobutanoate
Also Known As: Methyl 4-bromobutyrate, methyl 4-bromobutanoate, Br-C3-methyl ester, 4-Bromobutyric Acid Methyl Ester, Methyl4-bromobutyrate
| Molecular Formula | C5H9BrO2 |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.97859 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 4897-84-1 |
|---|---|
| SMILES | COC(=O)CCCBr |
| InChIKey | QAWFLJGZSZIZHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-bromobutyrate (CAS 4897-84-1), with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol. IUPAC: methyl 4-bromobutanoate.
Chemical Property Profile of Methyl 4-bromobutyrate
Property Insights of Methyl 4-bromobutyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-bromobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromobutyrate 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-bromobutyrate?
The CAS number of Methyl 4-bromobutyrate is 4897-84-1.
What is the molecular formula of Methyl 4-bromobutyrate?
The molecular formula of Methyl 4-bromobutyrate is C5H9BrO2.
What is the molecular weight of Methyl 4-bromobutyrate?
The molecular weight of Methyl 4-bromobutyrate is 179.98 g/mol.
Where can I buy Methyl 4-bromobutyrate?
You can request a quote for Methyl 4-bromobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.