Benzene, 3-ethylpentyl
TL;DR: Benzene, 3-ethylpentyl (CAS 1985-56-4) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylpentylbenzene
Also Known As: Benzene, 3-ethylpentyl, 3-ethylpentylbenzene, (3-Ethylpentyl)benzene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 1985-56-4 |
|---|---|
| SMILES | CCC(CC)CCC1=CC=CC=C1 |
| InChIKey | LTDPSHNNSRDULC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 3-ethylpentyl (CAS 1985-56-4), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 3-ethylpentylbenzene.
Chemical Property Profile of Benzene, 3-ethylpentyl
Property Insights of Benzene, 3-ethylpentyl
The XLogP value of 5.6 indicates that Benzene, 3-ethylpentyl 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, 3-ethylpentyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 3-ethylpentyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 3-ethylpentyl?
The CAS number of Benzene, 3-ethylpentyl is 1985-56-4.
What is the molecular formula of Benzene, 3-ethylpentyl?
The molecular formula of Benzene, 3-ethylpentyl is C13H20.
What is the molecular weight of Benzene, 3-ethylpentyl?
The molecular weight of Benzene, 3-ethylpentyl is 176.16 g/mol.
Where can I buy Benzene, 3-ethylpentyl?
You can request a quote for Benzene, 3-ethylpentyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 3-ethylpentyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 3-ethylpentyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.