1-Phenyl-cycloheptene
TL;DR: 1-Phenyl-cycloheptene (CAS 2540-54-7) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylcycloheptene
Also Known As: 1-phenylcycloheptene, 1-Phenylcyclohept-1-ene, 2-Phenylcycloheptene, 1-Phenyl-cyclohepten, 1-Cycloheptenylbenzene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 2540-54-7 |
|---|---|
| SMILES | C1CCC=C(CC1)C2=CC=CC=C2 |
| InChIKey | JHHXUKFFAQKYGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-cycloheptene (CAS 2540-54-7), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 1-phenylcycloheptene.
Chemical Property Profile of 1-Phenyl-cycloheptene
Property Insights of 1-Phenyl-cycloheptene
The XLogP value of 5.1 indicates that 1-Phenyl-cycloheptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Phenyl-cycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-cycloheptene 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 1-Phenyl-cycloheptene?
The CAS number of 1-Phenyl-cycloheptene is 2540-54-7.
What is the molecular formula of 1-Phenyl-cycloheptene?
The molecular formula of 1-Phenyl-cycloheptene is C13H16.
What is the molecular weight of 1-Phenyl-cycloheptene?
The molecular weight of 1-Phenyl-cycloheptene is 172.13 g/mol.
Where can I buy 1-Phenyl-cycloheptene?
You can request a quote for 1-Phenyl-cycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-cycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-cycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.