2,4,5-Trimethylbenzyl chloride
TL;DR: 2,4,5-Trimethylbenzyl chloride (CAS 10340-77-9) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-2,4,5-trimethylbenzene
Also Known As: 1-(Chloromethyl)-2,4,5-trimethylbenzene, 2,4,5-TRIMETHYLBENZYL CHLORIDE, Benzene, 1-(chloromethyl)-2,4,5-trimethyl-, Benzene,1-(chloromethyl)-2,4,5-trimethyl-, 1,2,4-Trimethyl-5-(chloromethyl)benzene
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 10340-77-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)CCl)C |
| InChIKey | YHMFTAUOYLECGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethylbenzyl chloride (CAS 10340-77-9), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-(chloromethyl)-2,4,5-trimethylbenzene.
Chemical Property Profile of 2,4,5-Trimethylbenzyl chloride
Property Insights of 2,4,5-Trimethylbenzyl chloride
The XLogP value of 3.4 indicates that 2,4,5-Trimethylbenzyl 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, 2,4,5-Trimethylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethylbenzyl 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 2,4,5-Trimethylbenzyl chloride?
The CAS number of 2,4,5-Trimethylbenzyl chloride is 10340-77-9.
What is the molecular formula of 2,4,5-Trimethylbenzyl chloride?
The molecular formula of 2,4,5-Trimethylbenzyl chloride is C10H13Cl.
What is the molecular weight of 2,4,5-Trimethylbenzyl chloride?
The molecular weight of 2,4,5-Trimethylbenzyl chloride is 168.07 g/mol.
Where can I buy 2,4,5-Trimethylbenzyl chloride?
You can request a quote for 2,4,5-Trimethylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.