1,3-Diethylbenzene
TL;DR: 1,3-Diethylbenzene (CAS 141-93-5) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethylbenzene
Also Known As: 1,3-DIETHYLBENZENE, m-Diethylbenzene, Benzene, 1,3-diethyl-, Benzene, m-diethyl-, m-Ethylethylbenzene
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
| Melting Point | -83.9 °C |
| Boiling Point | 181.1 °C |
| Density | 0.8602 @ 20 °C |
| Solubility | Miscible in ethanol, ethyl ether and acetone |
| Flash Point | 56 °C |
| Vapor Pressure | 1.13 [mmHg] |
| Refractive Index | 1.4955 @ 20 °C |
Chemical Identifiers
| CAS Number | 141-93-5 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)CC |
| InChIKey | AFZZYIJIWUTJFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethylbenzene (CAS 141-93-5), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 1,3-diethylbenzene.
Chemical Property Profile of 1,3-Diethylbenzene
Property Insights of 1,3-Diethylbenzene
The XLogP value of 3.9 indicates that 1,3-Diethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Diethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethylbenzene 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 1,3-Diethylbenzene?
The CAS number of 1,3-Diethylbenzene is 141-93-5.
What is the molecular formula of 1,3-Diethylbenzene?
The molecular formula of 1,3-Diethylbenzene is C10H14.
What is the molecular weight of 1,3-Diethylbenzene?
The molecular weight of 1,3-Diethylbenzene is 134.11 g/mol.
Where can I buy 1,3-Diethylbenzene?
You can request a quote for 1,3-Diethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.