2,6-Dibromo-3,4-xylenol
TL;DR: 2,6-Dibromo-3,4-xylenol (CAS 22802-40-0) 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.
2,6-dibromo-3,4-dimethylphenol
Also Known As: 2,6-dibromo-3,4-dimethylphenol, 2,6-Dibromo-3,4-xylenol, Phenol,2,6-dibromo-3,4-dimethyl-, 3,4-Dimethyl-2,6-dibromophenol, 2,6-Dibrom-3,4-dimethyl-phenol
| Molecular Formula | C8H8Br2O |
|---|---|
| Molecular Weight | 277.89 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.89215 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 22802-40-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)Br)O)Br |
| InChIKey | KIVOOVZNPGTYDM-UHFFFAOYSA-N |
Product Overview
2,6-Dibromo-3,4-xylenol (CAS 22802-40-0), with molecular formula C8H8Br2O and molecular weight 277.89 g/mol. IUPAC: 2,6-dibromo-3,4-dimethylphenol.
Chemical Property Profile of 2,6-Dibromo-3,4-xylenol
Property Insights of 2,6-Dibromo-3,4-xylenol
The XLogP value of 3.7 indicates that 2,6-Dibromo-3,4-xylenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Dibromo-3,4-xylenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-3,4-xylenol has 1 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-3,4-xylenol?
The CAS number of 2,6-Dibromo-3,4-xylenol is 22802-40-0.
What is the molecular formula of 2,6-Dibromo-3,4-xylenol?
The molecular formula of 2,6-Dibromo-3,4-xylenol is C8H8Br2O.
What is the molecular weight of 2,6-Dibromo-3,4-xylenol?
The molecular weight of 2,6-Dibromo-3,4-xylenol is 277.89 g/mol.
Where can I buy 2,6-Dibromo-3,4-xylenol?
You can request a quote for 2,6-Dibromo-3,4-xylenol 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-3,4-xylenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-3,4-xylenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.