2,6-Dibromo-4-methylanisole
TL;DR: 2,6-Dibromo-4-methylanisole (CAS 51699-89-9) is a chemical compound with molecular formula C8H8Br2O and molecular weight 277.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-2-methoxy-5-methylbenzene
Also Known As: 2,6-Dibromo-4-methylanisole, 1,3-dibromo-2-methoxy-5-methylbenzene, 2,6-Dibrom-4-methylanisol, 3,5-Dibromo-4-methoxytoluene, 1,3-Propanediol,1-(3-chlorophenyl)
| Molecular Formula | C8H8Br2O |
|---|---|
| Molecular Weight | 277.89 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.89215 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 51699-89-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)OC)Br |
| InChIKey | IHOLQYYMMKYVLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dibromo-4-methylanisole (CAS 51699-89-9), with molecular formula C8H8Br2O and molecular weight 277.89 g/mol. IUPAC: 1,3-dibromo-2-methoxy-5-methylbenzene.
Chemical Property Profile of 2,6-Dibromo-4-methylanisole
Property Insights of 2,6-Dibromo-4-methylanisole
The XLogP value of 3.6 indicates that 2,6-Dibromo-4-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,6-Dibromo-4-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-4-methylanisole 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 2,6-Dibromo-4-methylanisole?
The CAS number of 2,6-Dibromo-4-methylanisole is 51699-89-9.
What is the molecular formula of 2,6-Dibromo-4-methylanisole?
The molecular formula of 2,6-Dibromo-4-methylanisole is C8H8Br2O.
What is the molecular weight of 2,6-Dibromo-4-methylanisole?
The molecular weight of 2,6-Dibromo-4-methylanisole is 277.89 g/mol.
Where can I buy 2,6-Dibromo-4-methylanisole?
You can request a quote for 2,6-Dibromo-4-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-4-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.