1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate
TL;DR: 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate (CAS 10104-58-2) is a chemical compound with molecular formula C22H22FNO2 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-fluorophenyl)-1-phenylprop-2-ynyl] N-cyclohexylcarbamate
Also Known As: Carbamic acid, cyclohexyl-, 1-(4-fluorophenyl)-1-phenyl-2-propynyl ester, Cyclohexanecarbamic acid, 1-(p-fluorophenyl)-1-phenyl-2-propynyl ester, 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate, [1-(4-fluorophenyl)-1-phenylprop-2-ynyl] N-cyclohexylcarbamate, RefChem:1054366
| Molecular Formula | C22H22FNO2 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.16345 |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 10104-58-2 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCC3 |
| InChIKey | FNUYDFQKUFAYFP-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate (CAS 10104-58-2), with molecular formula C22H22FNO2 and molecular weight 351.16 g/mol. IUPAC: [1-(4-fluorophenyl)-1-phenylprop-2-ynyl] N-cyclohexylcarbamate.
Chemical Property Profile of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate
Property Insights of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate
The XLogP value of 5.1 indicates that 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate?
The CAS number of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate is 10104-58-2.
What is the molecular formula of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate?
The molecular formula of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate is C22H22FNO2.
What is the molecular weight of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate?
The molecular weight of 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate is 351.16 g/mol.
Where can I buy 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate?
You can request a quote for 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.