Methyl 5-bromo-4-oxopentanoate
TL;DR: Methyl 5-bromo-4-oxopentanoate (CAS 53856-93-2) is a chemical compound with molecular formula C6H9BrO3 and molecular weight 207.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-4-oxopentanoate
Also Known As: methyl 5-bromo-4-oxopentanoate, methyl 5-bromolevulinate, Methyl 5-bromo-4-oxo-pentanoate, 5-bromolevulinic acid methyl ester, 5-bromolevulinic methyl ester
| Molecular Formula | C6H9BrO3 |
|---|---|
| Molecular Weight | 207.97 g/mol |
| LogP | 0.9036 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.97351 |
| Heavy Atoms | 10 |
| Complexity | 116.95462 |
Chemical Identifiers
| CAS Number | 53856-93-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)CBr |
Product Overview
Methyl 5-bromo-4-oxopentanoate (CAS 53856-93-2), with molecular formula C6H9BrO3 and molecular weight 207.97 g/mol. IUPAC: methyl 5-bromo-4-oxopentanoate.
Chemical Property Profile of Methyl 5-bromo-4-oxopentanoate
Property Insights of Methyl 5-bromo-4-oxopentanoate
The XLogP value of 0.9036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-4-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 5-bromo-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-4-oxopentanoate has 0 hydrogen bond donor(s) and 3 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 5-bromo-4-oxopentanoate?
The CAS number of Methyl 5-bromo-4-oxopentanoate is 53856-93-2.
What is the molecular formula of Methyl 5-bromo-4-oxopentanoate?
The molecular formula of Methyl 5-bromo-4-oxopentanoate is C6H9BrO3.
What is the molecular weight of Methyl 5-bromo-4-oxopentanoate?
The molecular weight of Methyl 5-bromo-4-oxopentanoate is 207.97 g/mol.
Where can I buy Methyl 5-bromo-4-oxopentanoate?
You can request a quote for Methyl 5-bromo-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.