1-(3-Bromopropoxy)-2,4,5-trichlorobenzene
TL;DR: 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene (CAS 29102-72-5) is a chemical compound with molecular formula C9H8BrCl3O and molecular weight 315.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromopropoxy)-2,4,5-trichlorobenzene
Also Known As: 1-(3-bromopropoxy)-2,4,5-trichlorobenzene, 3-(2,4,5-trichlorophenoxy)propyl bromide
| Molecular Formula | C9H8BrCl3O |
|---|---|
| Molecular Weight | 315.88 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.88242 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 29102-72-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCCCBr |
| InChIKey | JFPLHTXLQHQPOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Bromopropoxy)-2,4,5-trichlorobenzene (CAS 29102-72-5), with molecular formula C9H8BrCl3O and molecular weight 315.88 g/mol. IUPAC: 1-(3-bromopropoxy)-2,4,5-trichlorobenzene.
Chemical Property Profile of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene
Property Insights of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene
The XLogP value of 4.9 indicates that 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene 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 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene?
The CAS number of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene is 29102-72-5.
What is the molecular formula of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene?
The molecular formula of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene is C9H8BrCl3O.
What is the molecular weight of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene?
The molecular weight of 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene is 315.88 g/mol.
Where can I buy 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene?
You can request a quote for 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromopropoxy)-2,4,5-trichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.