Cycloheptylbenzene
TL;DR: Cycloheptylbenzene (CAS 4401-18-7) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylcycloheptane
Also Known As: Phenylcycloheptane, cycloheptylbenzene, 1-Cycloheptylbenzene, 1-Phenylcycloheptane, Cycloheptane, phenyl-
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 4401-18-7 |
|---|---|
| SMILES | C1CCCC(CC1)C2=CC=CC=C2 |
| InChIKey | ZQFWLIVWPCXOQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptylbenzene (CAS 4401-18-7), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: phenylcycloheptane.
Chemical Property Profile of Cycloheptylbenzene
Property Insights of Cycloheptylbenzene
The XLogP value of 5.4 indicates that Cycloheptylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cycloheptylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptylbenzene 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 Cycloheptylbenzene?
The CAS number of Cycloheptylbenzene is 4401-18-7.
What is the molecular formula of Cycloheptylbenzene?
The molecular formula of Cycloheptylbenzene is C13H18.
What is the molecular weight of Cycloheptylbenzene?
The molecular weight of Cycloheptylbenzene is 174.14 g/mol.
Where can I buy Cycloheptylbenzene?
You can request a quote for Cycloheptylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.