Heptylbenzene
TL;DR: Heptylbenzene (CAS 1078-71-3) 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.
heptylbenzene
Also Known As: Heptylbenzene, n-Heptylbenzene, 1-PHENYLHEPTANE, Benzene, heptyl-, 1-heptylbenzene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 101.0 |
| Vapor Pressure | 0.03 [mmHg] |
Chemical Identifiers
| CAS Number | 1078-71-3 |
|---|---|
| SMILES | CCCCCCCC1=CC=CC=C1 |
| InChIKey | LBNXAWYDQUGHGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptylbenzene (CAS 1078-71-3), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: heptylbenzene.
Chemical Property Profile of Heptylbenzene
Property Insights of Heptylbenzene
The XLogP value of 6.1 indicates that Heptylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Heptylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptylbenzene 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 Heptylbenzene?
The CAS number of Heptylbenzene is 1078-71-3.
What is the molecular formula of Heptylbenzene?
The molecular formula of Heptylbenzene is C13H20.
What is the molecular weight of Heptylbenzene?
The molecular weight of Heptylbenzene is 176.16 g/mol.
Where can I buy Heptylbenzene?
You can request a quote for Heptylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Heptylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.