1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene
TL;DR: 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene (CAS 133086-86-9) is a chemical compound with molecular formula C9H10BrCl3 and molecular weight 301.90314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene
Also Known As: 1-Bcdmo, 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene, (3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene, 8-bromo-5,6-dichloro-2-(chloromethyl)-6-methylocta-1,3,7-triene, (R*,R*-(E,E))-(+)-8-Bromo-5,6-dichloro-2-(chloromethyl)-1,3,7-octatriene
Technical Specifications
| Molecular Formula | C9H10BrCl3 |
| Molecular Weight | 301.90314 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.90314 Da |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| SMILES | C=C(CCl)/C=C/[C@H]([C@@H](/C=C/Br)Cl)Cl |
| InChIKey | VQSLPGQMLVUDDK-PTZKRIBWSA-N |
Chemical Property Profile of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene
Property Insights of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene
The XLogP value of 4.4 indicates that 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
The CAS number of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene is 133086-86-9.
What is the molecular formula of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
The molecular formula of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene is C9H10BrCl3.
What is the molecular weight of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
The molecular weight of 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene is 301.90314 g/mol.
Where can I buy 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
You can request a quote for 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.