2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- (CAS 698-49-7) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 4-Aminotropolone, tropolone, 4-amino-, 4-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 4-AMINO-2-HYDROXY-, 6-amino-2-hydroxycyclohepta-2,4,6-trien-1-one
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 698-49-7 |
|---|---|
| SMILES | C1=CC(=CC(=O)C(=C1)O)N |
| InChIKey | JKYMBLYJMSXPCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- (CAS 698-49-7), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 6-amino-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- has 2 hydrogen bond donor(s) and 3 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 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- is 698-49-7.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- is C7H7NO2.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- is 137.05 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 4-amino-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.