3-Bromo-5-octylfuran-2(5H)-one
TL;DR: 3-Bromo-5-octylfuran-2(5H)-one (CAS 76508-25-3) is a chemical compound with molecular formula C12H19BrO2 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-octyl-2H-furan-5-one
Also Known As: 3-Bromo-5-octylfuran-2(5H)-one, EINECS 278-419-5, 3-Bromo-5-octyl-2(5H)-furanone, EINECS 278-481-3, 4-bromo-2-octyl-2H-furan-5-one
| Molecular Formula | C12H19BrO2 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 3.9412 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.05685 |
| Heavy Atoms | 15 |
| Complexity | 235.77661 |
Chemical Identifiers
| CAS Number | 76508-25-3 |
|---|---|
| SMILES | CCCCCCCCC1C=C(C(=O)O1)Br |
Product Overview
3-Bromo-5-octylfuran-2(5H)-one (CAS 76508-25-3), with molecular formula C12H19BrO2 and molecular weight 274.06 g/mol. IUPAC: 4-bromo-2-octyl-2H-furan-5-one.
Chemical Property Profile of 3-Bromo-5-octylfuran-2(5H)-one
Property Insights of 3-Bromo-5-octylfuran-2(5H)-one
The XLogP value of 3.9412 indicates that 3-Bromo-5-octylfuran-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-5-octylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-octylfuran-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-octylfuran-2(5H)-one?
The CAS number of 3-Bromo-5-octylfuran-2(5H)-one is 76508-25-3.
What is the molecular formula of 3-Bromo-5-octylfuran-2(5H)-one?
The molecular formula of 3-Bromo-5-octylfuran-2(5H)-one is C12H19BrO2.
What is the molecular weight of 3-Bromo-5-octylfuran-2(5H)-one?
The molecular weight of 3-Bromo-5-octylfuran-2(5H)-one is 274.06 g/mol.
Where can I buy 3-Bromo-5-octylfuran-2(5H)-one?
You can request a quote for 3-Bromo-5-octylfuran-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-octylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-octylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.