Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester
TL;DR: Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester (CAS 10087-77-1) is a chemical compound with molecular formula C22H21F2NO2 and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclohexylcarbamate
Also Known As: 1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclohexylcarbamate, 1,1-Bis(p-fluorophenyl)-2-propynyl-N-cyclohexylcarbamate, Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester, Cyclohexanecarbamic acid 1,1-bis(p-fluorophenyl)-2-propynyl ester, 1,1-bis(4-fluorophenyl)prop-2-yn-1-yl cyclohexylcarbamate
| Molecular Formula | C22H21F2NO2 |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.15402 |
| Heavy Atoms | 27 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 10087-77-1 |
|---|---|
| SMILES | C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCC3 |
| InChIKey | DGBAMTYZPLYMAR-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester (CAS 10087-77-1), with molecular formula C22H21F2NO2 and molecular weight 369.15 g/mol. IUPAC: 1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclohexylcarbamate.
Chemical Property Profile of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester
Property Insights of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester
The XLogP value of 5.2 indicates that Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester?
The CAS number of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester is 10087-77-1.
What is the molecular formula of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester?
The molecular formula of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester is C22H21F2NO2.
What is the molecular weight of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester?
The molecular weight of Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester is 369.15 g/mol.
Where can I buy Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester?
You can request a quote for Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.