3,5-Dibromotoluene
TL;DR: 3,5-Dibromotoluene (CAS 1611-92-3) is a chemical compound with molecular formula C7H6Br2 and molecular weight 247.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-5-methylbenzene
Also Known As: 3,5-DIBROMOTOLUENE, 1,3-dibromo-5-methylbenzene, Benzene, 1,3-dibromo-5-methyl-, 3,5-Dibromtoluol, 3 ,5-Dibromotoluene
| Molecular Formula | C7H6Br2 |
|---|---|
| Molecular Weight | 247.88 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.88158 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 1611-92-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)Br)Br |
| InChIKey | DPKKOVGCHDUSAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dibromotoluene (CAS 1611-92-3), with molecular formula C7H6Br2 and molecular weight 247.88 g/mol. IUPAC: 1,3-dibromo-5-methylbenzene.
Chemical Property Profile of 3,5-Dibromotoluene
Property Insights of 3,5-Dibromotoluene
The XLogP value of 3.7 indicates that 3,5-Dibromotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Dibromotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromotoluene has 0 hydrogen bond donor(s) and 0 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-Dibromotoluene?
The CAS number of 3,5-Dibromotoluene is 1611-92-3.
What is the molecular formula of 3,5-Dibromotoluene?
The molecular formula of 3,5-Dibromotoluene is C7H6Br2.
What is the molecular weight of 3,5-Dibromotoluene?
The molecular weight of 3,5-Dibromotoluene is 247.88 g/mol.
Where can I buy 3,5-Dibromotoluene?
You can request a quote for 3,5-Dibromotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.