![2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one structure](/static/products/5090/50904-18-2.webp)
2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one
TL;DR: 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one (CAS 50904-18-2) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-7-prop-2-enoxycyclohepta-2,4,6-trien-1-one
Also Known As: 2-bromo-7-prop-2-enoxycyclohepta-2,4,6-trien-1-one, 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 50904-18-2 |
|---|---|
| SMILES | C=CCOC1=CC=CC=C(C1=O)Br |
| InChIKey | NFXUIHBSQMCBIV-UHFFFAOYSA-N |
Product Overview
2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one (CAS 50904-18-2), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: 2-bromo-7-prop-2-enoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one
Property Insights of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one
The XLogP value of 3.3 indicates that 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-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 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one?
The CAS number of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one is 50904-18-2.
What is the molecular formula of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one?
The molecular formula of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one is C10H9BrO2.
What is the molecular weight of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one?
The molecular weight of 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one is 239.98 g/mol.
Where can I buy 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one?
You can request a quote for 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-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 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-7-[(prop-2-en-1-yl)oxy]cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.