2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene
TL;DR: 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene (CAS 70988-94-2) is a chemical compound with molecular formula C10H12BrCl and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(chloromethyl)-1,3,5-trimethylbenzene
Also Known As: 2-bromo-4-(chloromethyl)-1,3,5-trimethylbenzene, NCIOpen2_006130, 2-bromo-4-(chloromethyl)-1,3,5-trimethyl-benzene
| Molecular Formula | C10H12BrCl |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.9811 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 70988-94-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CCl)C)Br)C |
| InChIKey | LSEDHNDZISRJSQ-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene (CAS 70988-94-2), with molecular formula C10H12BrCl and molecular weight 245.98 g/mol. IUPAC: 2-bromo-4-(chloromethyl)-1,3,5-trimethylbenzene.
Chemical Property Profile of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene
Property Insights of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene
The XLogP value of 4.1 indicates that 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene 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 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene?
The CAS number of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene is 70988-94-2.
What is the molecular formula of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene?
The molecular formula of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene is C10H12BrCl.
What is the molecular weight of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene?
The molecular weight of 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene is 245.98 g/mol.
Where can I buy 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene?
You can request a quote for 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(chloromethyl)-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.