Dibromodiphenyl ether (mixed isomers)
TL;DR: Dibromodiphenyl ether (mixed isomers) (CAS 60112-44-9) is a chemical compound with molecular formula C12H8Br2O and molecular weight 325.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromo-3-phenoxybenzene
Also Known As: 2,3-Dibromodiphenyl ether, dibromodiphenyl ether, 1,2-dibromo-3-phenoxybenzene, dibromo diphenyl ether, Diphenyl ether, dibromo-
| Molecular Formula | C12H8Br2O |
|---|---|
| Molecular Weight | 325.89 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.8942 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 60112-44-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C(=CC=C2)Br)Br |
| InChIKey | JTYRXXKXOULVAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromodiphenyl ether (mixed isomers) (CAS 60112-44-9), with molecular formula C12H8Br2O and molecular weight 325.89 g/mol. IUPAC: 1,2-dibromo-3-phenoxybenzene.
Chemical Property Profile of Dibromodiphenyl ether (mixed isomers)
Property Insights of Dibromodiphenyl ether (mixed isomers)
The XLogP value of 4.8 indicates that Dibromodiphenyl ether (mixed isomers) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Dibromodiphenyl ether (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromodiphenyl ether (mixed isomers) 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 Dibromodiphenyl ether (mixed isomers)?
The CAS number of Dibromodiphenyl ether (mixed isomers) is 60112-44-9.
What is the molecular formula of Dibromodiphenyl ether (mixed isomers)?
The molecular formula of Dibromodiphenyl ether (mixed isomers) is C12H8Br2O.
What is the molecular weight of Dibromodiphenyl ether (mixed isomers)?
The molecular weight of Dibromodiphenyl ether (mixed isomers) is 325.89 g/mol.
Where can I buy Dibromodiphenyl ether (mixed isomers)?
You can request a quote for Dibromodiphenyl ether (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromodiphenyl ether (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for Dibromodiphenyl ether (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.