2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- (CAS 36039-41-5) is a chemical compound with molecular formula C7H6BrNO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-bromocyclohepta-2,4,6-trien-1-one
Also Known As: 2-Amino-7-bromotropone, 2-Amino-7-brom-tropon, 2-amino-7-bromocyclohepta-2,4,6-trien-1-one, 2-Amino-7-bromo-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-AMINO-7-BROMO-
| Molecular Formula | C7H6BrNO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.96329 |
| Heavy Atoms | 10 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 36039-41-5 |
|---|---|
| SMILES | C1=CC=C(C(=O)C(=C1)N)Br |
| InChIKey | PIDKCMXFTVKLLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- (CAS 36039-41-5), with molecular formula C7H6BrNO and molecular weight 198.96 g/mol. IUPAC: 2-amino-7-bromocyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-. With a topological polar surface area (TPSA) of 43.1 Ų, 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- 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 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- is 36039-41-5.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- is C7H6BrNO.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- is 198.96 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- 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, 2-amino-7-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.