3-Bromo-5-methylfuran-2(5H)-one
TL;DR: 3-Bromo-5-methylfuran-2(5H)-one (CAS 76311-90-5) is a chemical compound with molecular formula C5H5BrO2 and molecular weight 175.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methyl-2H-furan-5-one
Also Known As: 3-Bromo-5-methylfuran-2(5H)-one, 4-bromo-2-methyl-2H-furan-5-one, EINECS 278-417-4, 3-Bromo-5-methyl-2(5H)-furanone, 3-bromo-5-methyl-5H-furan-2-one
| Molecular Formula | C5H5BrO2 |
|---|---|
| Molecular Weight | 175.95 g/mol |
| LogP | 1.2105 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.9473 |
| Heavy Atoms | 8 |
| Complexity | 150.50766 |
Chemical Identifiers
| CAS Number | 76311-90-5 |
|---|---|
| SMILES | CC1C=C(C(=O)O1)Br |
Product Overview
3-Bromo-5-methylfuran-2(5H)-one (CAS 76311-90-5), with molecular formula C5H5BrO2 and molecular weight 175.95 g/mol. IUPAC: 4-bromo-2-methyl-2H-furan-5-one.
Chemical Property Profile of 3-Bromo-5-methylfuran-2(5H)-one
Property Insights of 3-Bromo-5-methylfuran-2(5H)-one
The XLogP value of 1.2105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-methylfuran-2(5H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-5-methylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-methylfuran-2(5H)-one 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 3-Bromo-5-methylfuran-2(5H)-one?
The CAS number of 3-Bromo-5-methylfuran-2(5H)-one is 76311-90-5.
What is the molecular formula of 3-Bromo-5-methylfuran-2(5H)-one?
The molecular formula of 3-Bromo-5-methylfuran-2(5H)-one is C5H5BrO2.
What is the molecular weight of 3-Bromo-5-methylfuran-2(5H)-one?
The molecular weight of 3-Bromo-5-methylfuran-2(5H)-one is 175.95 g/mol.
Where can I buy 3-Bromo-5-methylfuran-2(5H)-one?
You can request a quote for 3-Bromo-5-methylfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-methylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-methylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.