Α-环庚三烯酚酮
TL;DR: Α-环庚三烯酚酮 (CAS 533-75-5) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-环庚三烯酚酮
2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: Tropolone, Purpurocatechol, 2-Hydroxytropone, 2-Hydroxycyclohepta-2,4,6-trienone, tropolon
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 209.0 |
| Vapor Pressure | 0.000679 [mmHg] |
Chemical Identifiers
| CAS Number | 533-75-5 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)O |
| InChIKey | MDYOLVRUBBJPFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-环庚三烯酚酮 (CAS 533-75-5), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of Α-环庚三烯酚酮
Property Insights of Α-环庚三烯酚酮
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-环庚三烯酚酮. With a topological polar surface area (TPSA) of 37.3 Ų, Α-环庚三烯酚酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-环庚三烯酚酮 has 1 hydrogen bond donor(s) and 2 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 Α-环庚三烯酚酮?
The CAS number of Α-环庚三烯酚酮 is 533-75-5.
What is the molecular formula of Α-环庚三烯酚酮?
The molecular formula of Α-环庚三烯酚酮 is C7H6O2.
What is the molecular weight of Α-环庚三烯酚酮?
The molecular weight of Α-环庚三烯酚酮 is 122.04 g/mol.
Where can I buy Α-环庚三烯酚酮?
You can request a quote for Α-环庚三烯酚酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-环庚三烯酚酮?
Yes, KEHONG BIO provides custom synthesis services for Α-环庚三烯酚酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.