环庚三烯酮
TL;DR: 环庚三烯酮 (CAS 539-80-0) is a chemical compound with molecular formula C7H6O and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环庚三烯酮
cyclohepta-2,4,6-trien-1-one
Also Known As: Tropone, cyclohepta-2,4,6-trien-1-one, Cycloheptatrienone, Tropon, Panose
| Molecular Formula | C7H6O |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.04186 |
| Heavy Atoms | 8 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 539-80-0 |
|---|---|
| SMILES | C1=CC=CC(=O)C=C1 |
| InChIKey | QVWDCTQRORVHHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环庚三烯酮 (CAS 539-80-0), with molecular formula C7H6O and molecular weight 106.04 g/mol. IUPAC: cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 环庚三烯酮
Property Insights of 环庚三烯酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环庚三烯酮. With a topological polar surface area (TPSA) of 17.1 Ų, 环庚三烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环庚三烯酮 has 0 hydrogen bond donor(s) and 1 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 环庚三烯酮?
The CAS number of 环庚三烯酮 is 539-80-0.
What is the molecular formula of 环庚三烯酮?
The molecular formula of 环庚三烯酮 is C7H6O.
What is the molecular weight of 环庚三烯酮?
The molecular weight of 环庚三烯酮 is 106.04 g/mol.
Where can I buy 环庚三烯酮?
You can request a quote for 环庚三烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环庚三烯酮?
Yes, KEHONG BIO provides custom synthesis services for 环庚三烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.