3,5-Dimethylbenzyl chloride
TL;DR: 3,5-Dimethylbenzyl chloride (CAS 2745-54-2) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-3,5-dimethylbenzene
Also Known As: Chloromesitylene, 1-(chloromethyl)-3,5-dimethylbenzene, 3,5-Dimethylbenzyl chloride, 1-Chloromethyl-3,5-dimethylbenzene, 3,5-Dimethylbenzylchloride
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 2745-54-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CCl)C |
| InChIKey | FYNVRRYQTHUESZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethylbenzyl chloride (CAS 2745-54-2), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 1-(chloromethyl)-3,5-dimethylbenzene.
Chemical Property Profile of 3,5-Dimethylbenzyl chloride
Property Insights of 3,5-Dimethylbenzyl chloride
The XLogP value of 3.0 indicates that 3,5-Dimethylbenzyl chloride 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-Dimethylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylbenzyl chloride 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-Dimethylbenzyl chloride?
The CAS number of 3,5-Dimethylbenzyl chloride is 2745-54-2.
What is the molecular formula of 3,5-Dimethylbenzyl chloride?
The molecular formula of 3,5-Dimethylbenzyl chloride is C9H11Cl.
What is the molecular weight of 3,5-Dimethylbenzyl chloride?
The molecular weight of 3,5-Dimethylbenzyl chloride is 154.05 g/mol.
Where can I buy 3,5-Dimethylbenzyl chloride?
You can request a quote for 3,5-Dimethylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.