3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
TL;DR: 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene (CAS 7435-83-8) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1,2,4,5-tetramethylbenzene
Also Known As: 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene, 2,3,5,6-TETRAMETHYLBENZYL CHLORIDE, 2,3,5,6-Tetramethylbenzylchloride, BUTETHAMINE, NCIOpen2_000970
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 7435-83-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)CCl)C)C |
| InChIKey | UGAPPXGBBWAIGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)-1,2,4,5-tetramethylbenzene (CAS 7435-83-8), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 3-(chloromethyl)-1,2,4,5-tetramethylbenzene.
Chemical Property Profile of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
Property Insights of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
The XLogP value of 4.6 indicates that 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene 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-(Chloromethyl)-1,2,4,5-tetramethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene 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-(Chloromethyl)-1,2,4,5-tetramethylbenzene?
The CAS number of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene is 7435-83-8.
What is the molecular formula of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene?
The molecular formula of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene is C11H15Cl.
What is the molecular weight of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene?
The molecular weight of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene is 182.09 g/mol.
Where can I buy 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene?
You can request a quote for 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.