Benzene, 1-ethyl-2,4,5-trimethyl-
TL;DR: Benzene, 1-ethyl-2,4,5-trimethyl- (CAS 17851-27-3) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,4,5-trimethylbenzene
Also Known As: 1-Ethyl-2,4,5-trimethylbenzene, Benzene, 1-ethyl-2,4,5-trimethyl-, 1-ethyl-2,4,5-trimethyl-benzene, 2,4,5-TRIMETHYLETHYLBENZENE, 1,2,4-Trimethyl,5-Ethylbenzene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 17851-27-3 |
|---|---|
| SMILES | CCC1=C(C=C(C(=C1)C)C)C |
| InChIKey | IYFUQKGDILUVJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-ethyl-2,4,5-trimethyl- (CAS 17851-27-3), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-ethyl-2,4,5-trimethylbenzene.
Chemical Property Profile of Benzene, 1-ethyl-2,4,5-trimethyl-
Property Insights of Benzene, 1-ethyl-2,4,5-trimethyl-
The XLogP value of 3.8 indicates that Benzene, 1-ethyl-2,4,5-trimethyl- 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-ethyl-2,4,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-ethyl-2,4,5-trimethyl- 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-ethyl-2,4,5-trimethyl-?
The CAS number of Benzene, 1-ethyl-2,4,5-trimethyl- is 17851-27-3.
What is the molecular formula of Benzene, 1-ethyl-2,4,5-trimethyl-?
The molecular formula of Benzene, 1-ethyl-2,4,5-trimethyl- is C11H16.
What is the molecular weight of Benzene, 1-ethyl-2,4,5-trimethyl-?
The molecular weight of Benzene, 1-ethyl-2,4,5-trimethyl- is 148.13 g/mol.
Where can I buy Benzene, 1-ethyl-2,4,5-trimethyl-?
You can request a quote for Benzene, 1-ethyl-2,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-ethyl-2,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-ethyl-2,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.