3-Bromo-4-(bromomethyl)-2(5H)-furanone
TL;DR: 3-Bromo-4-(bromomethyl)-2(5H)-furanone (CAS 199536-62-4) is a chemical compound with molecular formula C5H4Br2O2 and molecular weight 253.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-(bromomethyl)-2H-furan-5-one
Also Known As: 3-Bromo-4-(bromomethyl)-2(5H)-furanone, 3-(Bromomethyl)-4-bromo-5(2H)-furanone, 3-bromo-4-(bromomethyl)furan-2(5H)-one, 4-bromo-3-(bromomethyl)-2H-furan-5-one, 2(5H)-Furanone, 3-bromo-4-(bromomethyl)-
| Molecular Formula | C5H4Br2O2 |
|---|---|
| Molecular Weight | 253.86 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.8578 |
| Heavy Atoms | 9 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 199536-62-4 |
|---|---|
| SMILES | C1C(=C(C(=O)O1)Br)CBr |
| InChIKey | QDJFFEOYBDSZNL-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-(bromomethyl)-2(5H)-furanone (CAS 199536-62-4), with molecular formula C5H4Br2O2 and molecular weight 253.86 g/mol. IUPAC: 4-bromo-3-(bromomethyl)-2H-furan-5-one.
Chemical Property Profile of 3-Bromo-4-(bromomethyl)-2(5H)-furanone
Property Insights of 3-Bromo-4-(bromomethyl)-2(5H)-furanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-(bromomethyl)-2(5H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-4-(bromomethyl)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(bromomethyl)-2(5H)-furanone 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-4-(bromomethyl)-2(5H)-furanone?
The CAS number of 3-Bromo-4-(bromomethyl)-2(5H)-furanone is 199536-62-4.
What is the molecular formula of 3-Bromo-4-(bromomethyl)-2(5H)-furanone?
The molecular formula of 3-Bromo-4-(bromomethyl)-2(5H)-furanone is C5H4Br2O2.
What is the molecular weight of 3-Bromo-4-(bromomethyl)-2(5H)-furanone?
The molecular weight of 3-Bromo-4-(bromomethyl)-2(5H)-furanone is 253.86 g/mol.
Where can I buy 3-Bromo-4-(bromomethyl)-2(5H)-furanone?
You can request a quote for 3-Bromo-4-(bromomethyl)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(bromomethyl)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(bromomethyl)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.