5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one
TL;DR: 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one (CAS 33816-51-2) is a chemical compound with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one
Also Known As: 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one, 5-Bromo-2-methoxytropone, 2-Methoxy-5-bromotropone, 5-Bromo-2-methoxy-tropone, 5-Bromo-2-methoxycyclohepta-2,4,6-trienone
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 33816-51-2 |
|---|---|
| SMILES | COC1=CC=C(C=CC1=O)Br |
| InChIKey | MSEOPRICQZFYBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one (CAS 33816-51-2), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one
Property Insights of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one has 0 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-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one?
The CAS number of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one is 33816-51-2.
What is the molecular formula of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one is C8H7BrO2.
What is the molecular weight of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one is 213.96 g/mol.
Where can I buy 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 5-Bromo-2-methoxycyclohepta-2,4,6-trien-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-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.