3,5-Dibromo-4-methylphenol
TL;DR: 3,5-Dibromo-4-methylphenol (CAS 13979-81-2) is a chemical compound with molecular formula C7H6Br2O and molecular weight 263.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-methylphenol
Also Known As: 3,5-Dibromo-4-methylphenol, Phenol, 3,5-dibromo-4-methyl-, 3,5-Dibromo-p-cresol, Phenol, dibromomethyl-, 3,5-dibromo-4-methyl-phenol
| Molecular Formula | C7H6Br2O |
|---|---|
| Molecular Weight | 263.88 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.8765 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 13979-81-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Br)O)Br |
| InChIKey | AXCQKKVGMZCWPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dibromo-4-methylphenol (CAS 13979-81-2), with molecular formula C7H6Br2O and molecular weight 263.88 g/mol. IUPAC: 3,5-dibromo-4-methylphenol.
Chemical Property Profile of 3,5-Dibromo-4-methylphenol
Property Insights of 3,5-Dibromo-4-methylphenol
The XLogP value of 3.3 indicates that 3,5-Dibromo-4-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-Dibromo-4-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-4-methylphenol 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 3,5-Dibromo-4-methylphenol?
The CAS number of 3,5-Dibromo-4-methylphenol is 13979-81-2.
What is the molecular formula of 3,5-Dibromo-4-methylphenol?
The molecular formula of 3,5-Dibromo-4-methylphenol is C7H6Br2O.
What is the molecular weight of 3,5-Dibromo-4-methylphenol?
The molecular weight of 3,5-Dibromo-4-methylphenol is 263.88 g/mol.
Where can I buy 3,5-Dibromo-4-methylphenol?
You can request a quote for 3,5-Dibromo-4-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-4-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.