Carbanilic acid, 1-ethynylcyclohexyl ester
TL;DR: Carbanilic acid, 1-ethynylcyclohexyl ester (CAS 73623-16-2) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethynylcyclohexyl) N-phenylcarbamate
Also Known As: Cyclohexanol, phenylcarbamate, 1-Ethynylcyclohexyl carbanilate, Carbanilic acid, 1-ethynylcyclohexyl ester, 1-ethynylcyclohexyl phenylcarbamate, NIOSH/FD8940060
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 73623-16-2 |
|---|---|
| SMILES | C#CC1(CCCCC1)OC(=O)NC2=CC=CC=C2 |
| InChIKey | GUYHBQKJESGVMF-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 1-ethynylcyclohexyl ester (CAS 73623-16-2), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: (1-ethynylcyclohexyl) N-phenylcarbamate.
Chemical Property Profile of Carbanilic acid, 1-ethynylcyclohexyl ester
Property Insights of Carbanilic acid, 1-ethynylcyclohexyl ester
The XLogP value of 3.2 indicates that Carbanilic acid, 1-ethynylcyclohexyl 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, Carbanilic acid, 1-ethynylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 1-ethynylcyclohexyl ester 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
Frequently Asked Questions
What is the CAS number of Carbanilic acid, 1-ethynylcyclohexyl ester?
The CAS number of Carbanilic acid, 1-ethynylcyclohexyl ester is 73623-16-2.
What is the molecular formula of Carbanilic acid, 1-ethynylcyclohexyl ester?
The molecular formula of Carbanilic acid, 1-ethynylcyclohexyl ester is C15H17NO2.
What is the molecular weight of Carbanilic acid, 1-ethynylcyclohexyl ester?
The molecular weight of Carbanilic acid, 1-ethynylcyclohexyl ester is 243.13 g/mol.
Where can I buy Carbanilic acid, 1-ethynylcyclohexyl ester?
You can request a quote for Carbanilic acid, 1-ethynylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 1-ethynylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 1-ethynylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.