1-(Bromomethyl)-2,4-dimethylbenzene
TL;DR: 1-(Bromomethyl)-2,4-dimethylbenzene (CAS 78831-87-5) is a chemical compound with molecular formula C9H11Br and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2,4-dimethylbenzene
Also Known As: 1-(bromomethyl)-2,4-dimethylbenzene, 2,4-DIMETHYLBENZYL BROMIDE, 2,4-dimethylbenzylbromide, 1-Bromomethyl-2,4-dimethylbenzene, Benzene, 1-(bromomethyl)-2,4-dimethyl-
| Molecular Formula | C9H11Br |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 3.19834 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00441 |
| Heavy Atoms | 10 |
| Complexity | 228.16992 |
Chemical Identifiers
| CAS Number | 78831-87-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CBr)C |
Product Overview
1-(Bromomethyl)-2,4-dimethylbenzene (CAS 78831-87-5), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 1-(bromomethyl)-2,4-dimethylbenzene.
Chemical Property Profile of 1-(Bromomethyl)-2,4-dimethylbenzene
Property Insights of 1-(Bromomethyl)-2,4-dimethylbenzene
The XLogP value of 3.19834 indicates that 1-(Bromomethyl)-2,4-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Bromomethyl)-2,4-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-2,4-dimethylbenzene 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 1-(Bromomethyl)-2,4-dimethylbenzene?
The CAS number of 1-(Bromomethyl)-2,4-dimethylbenzene is 78831-87-5.
What is the molecular formula of 1-(Bromomethyl)-2,4-dimethylbenzene?
The molecular formula of 1-(Bromomethyl)-2,4-dimethylbenzene is C9H11Br.
What is the molecular weight of 1-(Bromomethyl)-2,4-dimethylbenzene?
The molecular weight of 1-(Bromomethyl)-2,4-dimethylbenzene is 198.00 g/mol.
Where can I buy 1-(Bromomethyl)-2,4-dimethylbenzene?
You can request a quote for 1-(Bromomethyl)-2,4-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-2,4-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-2,4-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.