Benzene, ethylpentamethyl-
TL;DR: Benzene, ethylpentamethyl- (CAS 2388-04-7) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,3,4,5,6-pentamethylbenzene
Also Known As: Benzene, ethylpentamethyl-, ethyl-pentamethyl-benzene, 1-Ethyl-2,3,4,5,6-pentamethylbenzene, 1-Ethyl-2,3,4,5,6-pentamethylbenzene #, RefChem:323954
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2388-04-7 |
|---|---|
| SMILES | CCC1=C(C(=C(C(=C1C)C)C)C)C |
| InChIKey | PIOVGSBSKHQCIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, ethylpentamethyl- (CAS 2388-04-7), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 1-ethyl-2,3,4,5,6-pentamethylbenzene.
Chemical Property Profile of Benzene, ethylpentamethyl-
Property Insights of Benzene, ethylpentamethyl-
The XLogP value of 4.5 indicates that Benzene, ethylpentamethyl- 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, ethylpentamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ethylpentamethyl- 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, ethylpentamethyl-?
The CAS number of Benzene, ethylpentamethyl- is 2388-04-7.
What is the molecular formula of Benzene, ethylpentamethyl-?
The molecular formula of Benzene, ethylpentamethyl- is C13H20.
What is the molecular weight of Benzene, ethylpentamethyl-?
The molecular weight of Benzene, ethylpentamethyl- is 176.16 g/mol.
Where can I buy Benzene, ethylpentamethyl-?
You can request a quote for Benzene, ethylpentamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ethylpentamethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ethylpentamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.