1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene
TL;DR: 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene (CAS 81613-58-3) is a chemical compound with molecular formula C11H5BrF6 and molecular weight 329.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene
Also Known As: 1-(3-bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene, 1-(3-Bromoprop-1-ynyl)-3,5-di(trifluoromethyl)benzene, 1-(3-bromoprop-1-yn-1-yl)-3,5-bis(trifluoromethyl)benzene, 1-(3,5-bistrifluoromethylphenyl)-3-bromoprop-1-yne, [3-(3,5-bis(trifluoromethyl)phenyl)-prop-2-ynyl]-bromide
| Molecular Formula | C11H5BrF6 |
|---|---|
| Molecular Weight | 329.95 g/mol |
| LogP | 4.4706 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.94788 |
| Heavy Atoms | 18 |
| Complexity | 456.72073 |
Chemical Identifiers
| CAS Number | 81613-58-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#CCBr |
Product Overview
1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene (CAS 81613-58-3), with molecular formula C11H5BrF6 and molecular weight 329.95 g/mol. IUPAC: 1-(3-bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene
Property Insights of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene
The XLogP value of 4.4706 indicates that 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene 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-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene 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-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene?
The CAS number of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene is 81613-58-3.
What is the molecular formula of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene?
The molecular formula of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene is C11H5BrF6.
What is the molecular weight of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene?
The molecular weight of 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene is 329.95 g/mol.
Where can I buy 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene?
You can request a quote for 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromoprop-1-ynyl)-3,5-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.