7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
TL;DR: 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene (CAS 72719-90-5) is a chemical compound with molecular formula C10H12BrCl5 and molecular weight 385.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
Also Known As: NCI60_008470, 1,5-Octadiene, 7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-, 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene, 7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene, (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-octa-1,5-diene
| Molecular Formula | C10H12BrCl5 |
|---|---|
| Molecular Weight | 385.86 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.8565 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 72719-90-5 |
|---|---|
| SMILES | CC(C=CCl)(C(C=CC(CCl)(CBr)Cl)Cl)Cl |
| InChIKey | HCTBSUXDIUTHQM-UHFFFAOYSA-N |
Product Overview
7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene (CAS 72719-90-5), with molecular formula C10H12BrCl5 and molecular weight 385.86 g/mol. IUPAC: 7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene.
Chemical Property Profile of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
Property Insights of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
The XLogP value of 4.7 indicates that 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene 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 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene?
The CAS number of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene is 72719-90-5.
What is the molecular formula of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene?
The molecular formula of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene is C10H12BrCl5.
What is the molecular weight of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene?
The molecular weight of 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene is 385.86 g/mol.
Where can I buy 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene?
You can request a quote for 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.