Benzene, 1,2,3-trimethyl-5-ethyl
TL;DR: Benzene, 1,2,3-trimethyl-5-ethyl (CAS 31366-00-4) 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.
5-ethyl-1,2,3-trimethylbenzene
Also Known As: 5-ethyl-1,2,3-trimethylbenzene, Benzene, 1,2,3-trimethyl-5-ethyl, 1-ethyl-3,4,5-trimethylbenzene, Benzene,1-ethyl-3,4,5-trimethyl, Benzene, 1-ethyl-3,4,5-trimethyl
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 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 | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 31366-00-4 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)C)C)C |
| InChIKey | XAMAWEGCJGSDDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3-trimethyl-5-ethyl (CAS 31366-00-4), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 5-ethyl-1,2,3-trimethylbenzene.
Chemical Property Profile of Benzene, 1,2,3-trimethyl-5-ethyl
Property Insights of Benzene, 1,2,3-trimethyl-5-ethyl
The XLogP value of 4.5 indicates that Benzene, 1,2,3-trimethyl-5-ethyl 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, 1,2,3-trimethyl-5-ethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3-trimethyl-5-ethyl 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, 1,2,3-trimethyl-5-ethyl?
The CAS number of Benzene, 1,2,3-trimethyl-5-ethyl is 31366-00-4.
What is the molecular formula of Benzene, 1,2,3-trimethyl-5-ethyl?
The molecular formula of Benzene, 1,2,3-trimethyl-5-ethyl is C11H16.
What is the molecular weight of Benzene, 1,2,3-trimethyl-5-ethyl?
The molecular weight of Benzene, 1,2,3-trimethyl-5-ethyl is 148.13 g/mol.
Where can I buy Benzene, 1,2,3-trimethyl-5-ethyl?
You can request a quote for Benzene, 1,2,3-trimethyl-5-ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-trimethyl-5-ethyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-trimethyl-5-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.