3-Ethylpropylbenzene
TL;DR: 3-Ethylpropylbenzene (CAS 20024-91-3) 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-propylbenzene
Also Known As: 1-Ethyl-3-propylbenzene, 3-Ethylpropylbenzene, Benzene, 1-ethyl-3-propyl-, 1-ethyl-3-propyl-benzene, 1-Ethyl-3-n-propylbenzene
| 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 | 3 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 20024-91-3 |
|---|---|
| SMILES | CCCC1=CC=CC(=C1)CC |
| InChIKey | QCYGXOCMWHSXSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylpropylbenzene (CAS 20024-91-3), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-ethyl-3-propylbenzene.
Chemical Property Profile of 3-Ethylpropylbenzene
Property Insights of 3-Ethylpropylbenzene
The XLogP value of 4.5 indicates that 3-Ethylpropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethylpropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylpropylbenzene 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 3-Ethylpropylbenzene?
The CAS number of 3-Ethylpropylbenzene is 20024-91-3.
What is the molecular formula of 3-Ethylpropylbenzene?
The molecular formula of 3-Ethylpropylbenzene is C11H16.
What is the molecular weight of 3-Ethylpropylbenzene?
The molecular weight of 3-Ethylpropylbenzene is 148.13 g/mol.
Where can I buy 3-Ethylpropylbenzene?
You can request a quote for 3-Ethylpropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylpropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylpropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.