1,2,4,6-Cycloheptatetraene
TL;DR: 1,2,4,6-Cycloheptatetraene (CAS 52783-93-4) 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.
cyclohepta-1,2,4,6-tetraene
Also Known As: 1,2,4,6-cycloheptatetraene, Cyclohepta-1,2,4,6-tetraene, 1,2,4,6-Cycloheptatetrene, Cycloheptane-1,2,4,6-tetrene, 2,4,6-Cycloheptatrienylideneradical
| Molecular Formula | C7H6 |
|---|---|
| Molecular Weight | 90.05 g/mol |
| LogP | 1.8237 |
| 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 | 136.87712 |
Chemical Identifiers
| CAS Number | 52783-93-4 |
|---|---|
| SMILES | C1=CC=C=CC=C1 |
Product Overview
1,2,4,6-Cycloheptatetraene (CAS 52783-93-4), with molecular formula C7H6 and molecular weight 90.05 g/mol. IUPAC: cyclohepta-1,2,4,6-tetraene.
Chemical Property Profile of 1,2,4,6-Cycloheptatetraene
Property Insights of 1,2,4,6-Cycloheptatetraene
The XLogP value of 1.8237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,6-Cycloheptatetraene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4,6-Cycloheptatetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,6-Cycloheptatetraene 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 1,2,4,6-Cycloheptatetraene?
The CAS number of 1,2,4,6-Cycloheptatetraene is 52783-93-4.
What is the molecular formula of 1,2,4,6-Cycloheptatetraene?
The molecular formula of 1,2,4,6-Cycloheptatetraene is C7H6.
What is the molecular weight of 1,2,4,6-Cycloheptatetraene?
The molecular weight of 1,2,4,6-Cycloheptatetraene is 90.05 g/mol.
Where can I buy 1,2,4,6-Cycloheptatetraene?
You can request a quote for 1,2,4,6-Cycloheptatetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,6-Cycloheptatetraene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,6-Cycloheptatetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.