1,2,4-Triethylbenzene
TL;DR: 1,2,4-Triethylbenzene (CAS 877-44-1) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-triethylbenzene
Also Known As: 1,2,4-TRIETHYLBENZENE, Benzene, 1,2,4-triethyl-, TRIETHYLBENZENE, Benzene,1,2,4-triethyl-, starbld0018440
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 877-44-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)CC)CC |
| InChIKey | WNLWIOJSURYFIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triethylbenzene (CAS 877-44-1), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,4-triethylbenzene.
Chemical Property Profile of 1,2,4-Triethylbenzene
Property Insights of 1,2,4-Triethylbenzene
The XLogP value of 4.3 indicates that 1,2,4-Triethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Triethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triethylbenzene 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 1,2,4-Triethylbenzene?
The CAS number of 1,2,4-Triethylbenzene is 877-44-1.
What is the molecular formula of 1,2,4-Triethylbenzene?
The molecular formula of 1,2,4-Triethylbenzene is C12H18.
What is the molecular weight of 1,2,4-Triethylbenzene?
The molecular weight of 1,2,4-Triethylbenzene is 162.14 g/mol.
Where can I buy 1,2,4-Triethylbenzene?
You can request a quote for 1,2,4-Triethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.