3-bromodihydro-3-methylfuran-2(3H)-one
TL;DR: 3-bromodihydro-3-methylfuran-2(3H)-one (CAS 33693-67-3) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-methyloxolan-2-one
Also Known As: 3-bromo-3-methyloxolan-2-one, alpha-Bromo-alpha-methyl-gamma-butyrolactone, 3-Bromodihydro-3-methylfuran-2(3H)-one, 3-Bromo-3-methyl-2-butyrolactone, 3-bromo-3-methyldihydrofuran-2(3h)-one
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 33693-67-3 |
|---|---|
| SMILES | CC1(CCOC1=O)Br |
| InChIKey | MXEVTHILFFSWOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-bromodihydro-3-methylfuran-2(3H)-one (CAS 33693-67-3), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: 3-bromo-3-methyloxolan-2-one.
Chemical Property Profile of 3-bromodihydro-3-methylfuran-2(3H)-one
Property Insights of 3-bromodihydro-3-methylfuran-2(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromodihydro-3-methylfuran-2(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-bromodihydro-3-methylfuran-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromodihydro-3-methylfuran-2(3H)-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-bromodihydro-3-methylfuran-2(3H)-one?
The CAS number of 3-bromodihydro-3-methylfuran-2(3H)-one is 33693-67-3.
What is the molecular formula of 3-bromodihydro-3-methylfuran-2(3H)-one?
The molecular formula of 3-bromodihydro-3-methylfuran-2(3H)-one is C5H7BrO2.
What is the molecular weight of 3-bromodihydro-3-methylfuran-2(3H)-one?
The molecular weight of 3-bromodihydro-3-methylfuran-2(3H)-one is 177.96 g/mol.
Where can I buy 3-bromodihydro-3-methylfuran-2(3H)-one?
You can request a quote for 3-bromodihydro-3-methylfuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromodihydro-3-methylfuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromodihydro-3-methylfuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.