Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-
TL;DR: Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- (CAS 484-65-1) is a chemical compound with molecular formula C12H17Cl and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene
Also Known As: 2,3,4,5,6-Pentamethylbenzyl chloride, Pentamethylbenzyl chloride, (Chloromethyl)pentamethylbenzene, Benzene, (chloromethyl)pentamethyl-, ANTHRAQUINONE
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 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 | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 484-65-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)CCl)C)C |
| InChIKey | CXUAEBDTJFKMBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- (CAS 484-65-1), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene.
Chemical Property Profile of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-
Property Insights of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-
The XLogP value of 4.1 indicates that Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- 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 Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-?
The CAS number of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- is 484-65-1.
What is the molecular formula of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-?
The molecular formula of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- is C12H17Cl.
What is the molecular weight of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-?
The molecular weight of Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- is 196.10 g/mol.
Where can I buy Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-?
You can request a quote for Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.