Bicyclo(4.1.0)hepta-1,3,5-triene
TL;DR: Bicyclo(4.1.0)hepta-1,3,5-triene (CAS 4646-69-9) is a chemical compound with molecular formula C7H6 and molecular weight 90.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[4.1.0]hepta-1,3,5-triene
Also Known As: Bicyclo[4.1.0]hepta-1,3,5-triene, 1,3,5-Norcaratriene, Cyclopropabenzene, Benzocyclopropene, 1,2-Methanobenzene
| Molecular Formula | C7H6 |
|---|---|
| Molecular Weight | 90.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.04695 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 4646-69-9 |
|---|---|
| SMILES | C1C2=CC=CC=C21 |
| InChIKey | AMSMVCOBCOZLEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(4.1.0)hepta-1,3,5-triene (CAS 4646-69-9), with molecular formula C7H6 and molecular weight 90.05 g/mol. IUPAC: bicyclo[4.1.0]hepta-1,3,5-triene.
Chemical Property Profile of Bicyclo(4.1.0)hepta-1,3,5-triene
Property Insights of Bicyclo(4.1.0)hepta-1,3,5-triene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(4.1.0)hepta-1,3,5-triene. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo(4.1.0)hepta-1,3,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(4.1.0)hepta-1,3,5-triene 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 Bicyclo(4.1.0)hepta-1,3,5-triene?
The CAS number of Bicyclo(4.1.0)hepta-1,3,5-triene is 4646-69-9.
What is the molecular formula of Bicyclo(4.1.0)hepta-1,3,5-triene?
The molecular formula of Bicyclo(4.1.0)hepta-1,3,5-triene is C7H6.
What is the molecular weight of Bicyclo(4.1.0)hepta-1,3,5-triene?
The molecular weight of Bicyclo(4.1.0)hepta-1,3,5-triene is 90.05 g/mol.
Where can I buy Bicyclo(4.1.0)hepta-1,3,5-triene?
You can request a quote for Bicyclo(4.1.0)hepta-1,3,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(4.1.0)hepta-1,3,5-triene?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(4.1.0)hepta-1,3,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.