3,4-二溴甲苯
TL;DR: 3,4-二溴甲苯 (CAS 60956-23-2) 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.
3,4-二溴甲苯
1,2-dibromo-4-methylbenzene
Also Known As: 3,4-Dibromotoluene, 1,2-dibromo-4-methylbenzene, cefsulodin, null, 3,4-Dibromtoluol
| 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 | 92.0 |
Chemical Identifiers
| CAS Number | 60956-23-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Br)Br |
| InChIKey | LDCPXNOCWDGYIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二溴甲苯 (CAS 60956-23-2), with molecular formula C7H6Br2 and molecular weight 247.88 g/mol. IUPAC: 1,2-dibromo-4-methylbenzene.
Chemical Property Profile of 3,4-二溴甲苯
Property Insights of 3,4-二溴甲苯
The XLogP value of 3.7 indicates that 3,4-二溴甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-二溴甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二溴甲苯 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 3,4-二溴甲苯?
The CAS number of 3,4-二溴甲苯 is 60956-23-2.
What is the molecular formula of 3,4-二溴甲苯?
The molecular formula of 3,4-二溴甲苯 is C7H6Br2.
What is the molecular weight of 3,4-二溴甲苯?
The molecular weight of 3,4-二溴甲苯 is 247.88 g/mol.
Where can I buy 3,4-二溴甲苯?
You can request a quote for 3,4-二溴甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二溴甲苯?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二溴甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.