3-溴二苯醚
TL;DR: 3-溴二苯醚 (CAS 6876-00-2) is a chemical compound with molecular formula C12H9BrO and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴二苯醚
1-bromo-3-phenoxybenzene
Also Known As: 1-Bromo-3-phenoxybenzene, 3-Phenoxybromobenzene, 3-BROMODIPHENYL ETHER, Benzene, 1-bromo-3-phenoxy-, 3-Bromodiphenylether
| Molecular Formula | C12H9BrO |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.98367 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 6876-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=CC=C2)Br |
| InChIKey | AHDAKFFMKLQPTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴二苯醚 (CAS 6876-00-2), with molecular formula C12H9BrO and molecular weight 247.98 g/mol. IUPAC: 1-bromo-3-phenoxybenzene.
Chemical Property Profile of 3-溴二苯醚
Property Insights of 3-溴二苯醚
The XLogP value of 4.6 indicates that 3-溴二苯醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-溴二苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴二苯醚 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-溴二苯醚?
The CAS number of 3-溴二苯醚 is 6876-00-2.
What is the molecular formula of 3-溴二苯醚?
The molecular formula of 3-溴二苯醚 is C12H9BrO.
What is the molecular weight of 3-溴二苯醚?
The molecular weight of 3-溴二苯醚 is 247.98 g/mol.
Where can I buy 3-溴二苯醚?
You can request a quote for 3-溴二苯醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴二苯醚?
Yes, KEHONG BIO provides custom synthesis services for 3-溴二苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.