(3-Heptyl)benzene
TL;DR: (3-Heptyl)benzene (CAS 2132-85-6) is a chemical compound with molecular formula CCCCC(CC)C1=CC=CC=C1 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-3-ylbenzene
Also Known As: (3-Heptyl)benzene, 3-phenylheptane, heptan-3-ylbenzene, (Heptan-3-yl)benzene, 1-Ethylpentylbenzene
| Molecular Formula | CCCCC(CC)C1=CC=CC=C1 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 5.2 |
| 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 | 111.0 |
Chemical Identifiers
| CAS Number | 2132-85-6 |
|---|---|
| SMILES | CCCCC(CC)C1=CC=CC=C1 |
| InChIKey | QXZANYPVYZTYBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Heptyl)benzene (CAS 2132-85-6), with molecular formula CCCCC(CC)C1=CC=CC=C1 and molecular weight 176.16 g/mol. IUPAC: heptan-3-ylbenzene.
Chemical Property Profile of (3-Heptyl)benzene
Property Insights of (3-Heptyl)benzene
The XLogP value of 5.2 indicates that (3-Heptyl)benzene 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-Heptyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Heptyl)benzene 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 (3-Heptyl)benzene?
The CAS number of (3-Heptyl)benzene is 2132-85-6.
What is the molecular formula of (3-Heptyl)benzene?
The molecular formula of (3-Heptyl)benzene is CCCCC(CC)C1=CC=CC=C1.
What is the molecular weight of (3-Heptyl)benzene?
The molecular weight of (3-Heptyl)benzene is 176.16 g/mol.
Where can I buy (3-Heptyl)benzene?
You can request a quote for (3-Heptyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Heptyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Heptyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.