7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one
TL;DR: 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one (CAS 72719-88-1) is a chemical compound with molecular formula C10H12BrCl3O and molecular weight 331.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
Also Known As: 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one, 1,4-Octadien-3-one, 7-bromo-4,6,8-trichloro-2,6-dimethyl-, (4Z)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
| Molecular Formula | C10H12BrCl3O |
|---|---|
| Molecular Weight | 331.91 g/mol |
| LogP | 4.2541 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.9137 |
| Heavy Atoms | 15 |
| Complexity | 297.04263 |
Chemical Identifiers
| CAS Number | 72719-88-1 |
|---|---|
| SMILES | CC(=C)C(=O)/C(=C/C(C)(C(CCl)Br)Cl)/Cl |
Product Overview
7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one (CAS 72719-88-1), with molecular formula C10H12BrCl3O and molecular weight 331.91 g/mol. IUPAC: (4Z)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one.
Chemical Property Profile of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one
Property Insights of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one
The XLogP value of 4.2541 indicates that 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one has 0 hydrogen bond donor(s) and 1 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 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one?
The CAS number of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one is 72719-88-1.
What is the molecular formula of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one?
The molecular formula of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one is C10H12BrCl3O.
What is the molecular weight of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one?
The molecular weight of 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one is 331.91 g/mol.
Where can I buy 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one?
You can request a quote for 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.