2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- (CAS 7251-22-1) is a chemical compound with molecular formula COC1=CC=C(C=CC1=O)N and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-methoxycyclohepta-2,4,6-trien-1-one
Also Known As: tropone, 4-amino-7-methoxy-, 5-Amino-2-methoxy-2,4,6-cycloheptatrien-1-one, Silane, trichloro(4-methylphenyl)-, 5-amino-2-methoxycyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-
| Molecular Formula | COC1=CC=C(C=CC1=O)N |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 7251-22-1 |
|---|---|
| SMILES | COC1=CC=C(C=CC1=O)N |
| InChIKey | QHIRMRGUZBFBJJ-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, 5-amino-2-methoxy- (CAS 7251-22-1), with molecular formula COC1=CC=C(C=CC1=O)N and molecular weight 151.06 g/mol. IUPAC: 5-amino-2-methoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-. With a topological polar surface area (TPSA) of 52.3 Ų, 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- has 1 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, 5-amino-2-methoxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- is 7251-22-1.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- is COC1=CC=C(C=CC1=O)N.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- is 151.06 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- 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, 5-amino-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 5-amino-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.