3-溴苄溴
TL;DR: 3-溴苄溴 (CAS 823-78-9) 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.
3-溴苄溴
1-bromo-3-(bromomethyl)benzene
Also Known As: 3-Bromobenzyl bromide, 1-Bromo-3-(bromomethyl)benzene, m-Bromobenzyl bromide, 3-bromobenzylbromide, alpha,3-Dibromotoluene
| Molecular Formula | C7H6Br2 |
|---|---|
| Molecular Weight | 247.88 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.88158 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 823-78-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CBr |
| InChIKey | ZPCJPJQUVRIILS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴苄溴 (CAS 823-78-9), with molecular formula C7H6Br2 and molecular weight 247.88 g/mol. IUPAC: 1-bromo-3-(bromomethyl)benzene.
Chemical Property Profile of 3-溴苄溴
Property Insights of 3-溴苄溴
The XLogP value of 3.5 indicates that 3-溴苄溴 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-溴苄溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴苄溴 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-溴苄溴?
The CAS number of 3-溴苄溴 is 823-78-9.
What is the molecular formula of 3-溴苄溴?
The molecular formula of 3-溴苄溴 is C7H6Br2.
What is the molecular weight of 3-溴苄溴?
The molecular weight of 3-溴苄溴 is 247.88 g/mol.
Where can I buy 3-溴苄溴?
You can request a quote for 3-溴苄溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴苄溴?
Yes, KEHONG BIO provides custom synthesis services for 3-溴苄溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.