1-Ethyl-3-isopropylbenzene
TL;DR: 1-Ethyl-3-isopropylbenzene (CAS 4920-99-4) 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.
1-ethyl-3-propan-2-ylbenzene
Also Known As: m-Ethylcumene, Cumene, m-ethyl-, 1-Ethyl-3-isopropylbenzene, 3-ethylcumene, 1-ethyl-3-iso-propylbenzene
| 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 | 2 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 4920-99-4 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)C(C)C |
| InChIKey | GSLSBTNLESMZTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-3-isopropylbenzene (CAS 4920-99-4), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-ethyl-3-propan-2-ylbenzene.
Chemical Property Profile of 1-Ethyl-3-isopropylbenzene
Property Insights of 1-Ethyl-3-isopropylbenzene
The XLogP value of 3.8 indicates that 1-Ethyl-3-isopropylbenzene 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-Ethyl-3-isopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-isopropylbenzene 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-Ethyl-3-isopropylbenzene?
The CAS number of 1-Ethyl-3-isopropylbenzene is 4920-99-4.
What is the molecular formula of 1-Ethyl-3-isopropylbenzene?
The molecular formula of 1-Ethyl-3-isopropylbenzene is C11H16.
What is the molecular weight of 1-Ethyl-3-isopropylbenzene?
The molecular weight of 1-Ethyl-3-isopropylbenzene is 148.13 g/mol.
Where can I buy 1-Ethyl-3-isopropylbenzene?
You can request a quote for 1-Ethyl-3-isopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-isopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-isopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.