3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
TL;DR: 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene (CAS 51981-75-0) is a chemical compound with molecular formula C6H5BrO and molecular weight 171.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene
Also Known As: Bromobenzene-3,4-oxide, Bromobenzene-3,4-epoxide, Bromobenzene 3,4-oxide, 4-bromobenzene oxide, 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
| Molecular Formula | C6H5BrO |
|---|---|
| Molecular Weight | 171.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.95238 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 51981-75-0 |
|---|---|
| SMILES | C1=CC(=CC2C1O2)Br |
| InChIKey | FVTNDWDQRAAPCD-UHFFFAOYSA-N |
Product Overview
3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene (CAS 51981-75-0), with molecular formula C6H5BrO and molecular weight 171.95 g/mol. IUPAC: 3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene.
Chemical Property Profile of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
Property Insights of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene has 0 hydrogen bond donor(s) and 1 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-7-oxabicyclo(4.1.0)hepta-2,4-diene?
The CAS number of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene is 51981-75-0.
What is the molecular formula of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene?
The molecular formula of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene is C6H5BrO.
What is the molecular weight of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene?
The molecular weight of 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene is 171.95 g/mol.
Where can I buy 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene?
You can request a quote for 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.