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 301.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C9H10BrCl3 |
|---|---|
| Molecular Weight | 301.90 g/mol |
| LogP | 4.461 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.90314 |
| Heavy Atoms | 13 |
| Complexity | 210.90535 |
Chemical Identifiers
| CAS Number | 133086-86-9 |
|---|---|
| SMILES | C=C(CCl)/C=C/[C@H]([C@@H](/C=C/Br)Cl)Cl |
Product Overview
1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene (CAS 133086-86-9), with molecular formula C9H10BrCl3 and molecular weight 301.90 g/mol. IUPAC: (3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene.
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 4.461 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
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 301.90 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene?
Yes, KEHONG BIO 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.