Benzocycloheptene
TL;DR: Benzocycloheptene (CAS 1075-16-7) is a chemical compound with molecular formula C1CCC2=CC=CC=C2CC1 and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8,9-tetrahydro-5H-benzo[7]annulene
Also Known As: Benzocycloheptene, benzocycloheptane, benzo(7)annulene, benzo[7]annulene, 6,7,8,9-tetrahydro-5H-benzo[7]annulene
| Molecular Formula | C1CCC2=CC=CC=C2CC1 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1075-16-7 |
|---|---|
| SMILES | C1CCC2=CC=CC=C2CC1 |
| InChIKey | HEOQXHNKRXRCTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzocycloheptene (CAS 1075-16-7), with molecular formula C1CCC2=CC=CC=C2CC1 and molecular weight 146.11 g/mol. IUPAC: 6,7,8,9-tetrahydro-5H-benzo[7]annulene.
Chemical Property Profile of Benzocycloheptene
Property Insights of Benzocycloheptene
The XLogP value of 4.0 indicates that Benzocycloheptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzocycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzocycloheptene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzocycloheptene?
The CAS number of Benzocycloheptene is 1075-16-7.
What is the molecular formula of Benzocycloheptene?
The molecular formula of Benzocycloheptene is C1CCC2=CC=CC=C2CC1.
What is the molecular weight of Benzocycloheptene?
The molecular weight of Benzocycloheptene is 146.11 g/mol.
Where can I buy Benzocycloheptene?
You can request a quote for Benzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for Benzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.