Chloropentamethylbenzene
TL;DR: Chloropentamethylbenzene (CAS 5153-39-9) 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.
1-chloro-2,3,4,5,6-pentamethylbenzene
Also Known As: Chloropentamethylbenzene, Benzene, chloropentamethyl-, 1-chloro-2,3,4,5,6-pentamethyl-benzene, 1-chloro-2,3,4,5,6-pentamethylbenzene, 6-chloro-1,2,3,4,5-pentamethylbenzene
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5153-39-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)Cl)C)C |
| InChIKey | GWKDRPNLSOEGRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloropentamethylbenzene (CAS 5153-39-9), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-chloro-2,3,4,5,6-pentamethylbenzene.
Chemical Property Profile of Chloropentamethylbenzene
Property Insights of Chloropentamethylbenzene
The XLogP value of 4.4 indicates that Chloropentamethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Chloropentamethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloropentamethylbenzene 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 Chloropentamethylbenzene?
The CAS number of Chloropentamethylbenzene is 5153-39-9.
What is the molecular formula of Chloropentamethylbenzene?
The molecular formula of Chloropentamethylbenzene is C11H15Cl.
What is the molecular weight of Chloropentamethylbenzene?
The molecular weight of Chloropentamethylbenzene is 182.09 g/mol.
Where can I buy Chloropentamethylbenzene?
You can request a quote for Chloropentamethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloropentamethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Chloropentamethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.