1,2,3-Trimethyl-4-Ethylbenzene
TL;DR: 1,2,3-Trimethyl-4-Ethylbenzene (CAS 61827-86-9) 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-2,3,4-trimethylbenzene
Also Known As: ethyltrimethylbenzene, 1,2,3-Trimethyl-4-Ethylbenzene, Benzene, ethyltrimethyl-, 1-ethyl-2,3,4-trimethylbenzene, 1-ethyl-2,3,4-trimethyl-benzene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.4 |
| 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 | 61827-86-9 |
|---|---|
| SMILES | CCC1=C(C(=C(C=C1)C)C)C |
| InChIKey | BAMWORSGQSUNSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trimethyl-4-Ethylbenzene (CAS 61827-86-9), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-ethyl-2,3,4-trimethylbenzene.
Chemical Property Profile of 1,2,3-Trimethyl-4-Ethylbenzene
Property Insights of 1,2,3-Trimethyl-4-Ethylbenzene
The XLogP value of 4.4 indicates that 1,2,3-Trimethyl-4-Ethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trimethyl-4-Ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trimethyl-4-Ethylbenzene 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 1,2,3-Trimethyl-4-Ethylbenzene?
The CAS number of 1,2,3-Trimethyl-4-Ethylbenzene is 61827-86-9.
What is the molecular formula of 1,2,3-Trimethyl-4-Ethylbenzene?
The molecular formula of 1,2,3-Trimethyl-4-Ethylbenzene is C11H16.
What is the molecular weight of 1,2,3-Trimethyl-4-Ethylbenzene?
The molecular weight of 1,2,3-Trimethyl-4-Ethylbenzene is 148.13 g/mol.
Where can I buy 1,2,3-Trimethyl-4-Ethylbenzene?
You can request a quote for 1,2,3-Trimethyl-4-Ethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trimethyl-4-Ethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trimethyl-4-Ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.