5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one
TL;DR: 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one (CAS 3084-17-1) is a chemical compound with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 5-Chlorotropolone, 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-hydroxy-, 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one, 5-chloro-2-hydroxycyclohepta-2,4,6-trien-1-one, 5-chloro-2-hydroxycyclohepta-2,4,6-trienone
| Molecular Formula | C7H5ClO2 |
|---|---|
| Molecular Weight | 156.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.9978 |
| Heavy Atoms | 10 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 3084-17-1 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1Cl)O |
| InChIKey | QBBVEYLSVFZUQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one (CAS 3084-17-1), with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol. IUPAC: 5-chloro-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one
Property Insights of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one 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 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The CAS number of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one is 3084-17-1.
What is the molecular formula of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular formula of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one is C7H5ClO2.
What is the molecular weight of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular weight of 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one is 156.00 g/mol.
Where can I buy 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one?
You can request a quote for 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.