1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate
TL;DR: 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate (CAS 10473-74-2) is a chemical compound with molecular formula C16H12BrNO2 and molecular weight 329.00513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-bromophenyl)-1-phenylprop-2-ynyl] carbamate
Also Known As: [1-(4-bromophenyl)-1-phenylprop-2-ynyl] carbamate|1-(p-Bromophenyl)-1-phenyl-2-propyn-1-ol carbamate|1-(p-Bromophenyl)-1-phenyl-2-propyne-1-ol=carbamate|2-Propyn-1-ol, 1-(p-bromophenyl)-1-phenyl-, carbamate|1-(4-bromophenyl)-1-phenylprop-2-yn-1-yl carbamate|1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate|BRN 1886828
Technical Specifications
| Molecular Formula | C16H12BrNO2 |
| Molecular Weight | 329.00513 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.00513 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)OC(=O)N |
| InChIKey | JBRPLHGXXKJGFE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate
Property Insights of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate
The XLogP value of 3.5 indicates that 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate has 1 hydrogen bond donor(s) and 2 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-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate?
The CAS number of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate is 10473-74-2.
What is the molecular formula of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate?
The molecular formula of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate is C16H12BrNO2.
What is the molecular weight of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate?
The molecular weight of 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate is 329.00513 g/mol.
Where can I buy 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate?
You can request a quote for 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromophenyl)-1-phenylprop-2-yn-1-yl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.