5H-Benzocycloheptene
TL;DR: 5H-Benzocycloheptene (CAS 264-09-5) is a chemical compound with molecular formula C1C=CC=CC2=CC=CC=C21 and molecular weight 142.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9H-benzo[7]annulene
Also Known As: 5H-benzocycloheptene, 5H-benzo[7]annulene, 9H-benzo[7]annulene, 1,2-benzotropilidene, Benzocycloheptatriene
| Molecular Formula | C1C=CC=CC2=CC=CC=C21 |
|---|---|
| Molecular Weight | 142.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.07825 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 264-09-5 |
|---|---|
| SMILES | C1C=CC=CC2=CC=CC=C21 |
| InChIKey | XHVULKQHRQZNMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-Benzocycloheptene (CAS 264-09-5), with molecular formula C1C=CC=CC2=CC=CC=C21 and molecular weight 142.08 g/mol. IUPAC: 9H-benzo[7]annulene.
Chemical Property Profile of 5H-Benzocycloheptene
Property Insights of 5H-Benzocycloheptene
The XLogP value of 3.7 indicates that 5H-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, 5H-Benzocycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-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 5H-Benzocycloheptene?
The CAS number of 5H-Benzocycloheptene is 264-09-5.
What is the molecular formula of 5H-Benzocycloheptene?
The molecular formula of 5H-Benzocycloheptene is C1C=CC=CC2=CC=CC=C21.
What is the molecular weight of 5H-Benzocycloheptene?
The molecular weight of 5H-Benzocycloheptene is 142.08 g/mol.
Where can I buy 5H-Benzocycloheptene?
You can request a quote for 5H-Benzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.