苯胺甲酸-1-环己基-2-丙炔-1-基酯
TL;DR: 苯胺甲酸-1-环己基-2-丙炔-1-基酯 (CAS 100836-83-7) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯胺甲酸-1-环己基-2-丙炔-1-基酯
1-cyclohexylprop-2-ynyl N-phenylcarbamate
Also Known As: 1-cyclohexylprop-2-ynyl N-phenylcarbamate, 1-Cyclohexyl-2-propyn-1-yl carbanilate, Cyclohexanemethanol, alpha-ethynyl-, carbanilate, 1-cyclohexylprop-2-yn-1-yl phenylcarbamate, CARBANILIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTER
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 100836-83-7 |
|---|---|
| SMILES | C#CC(C1CCCCC1)OC(=O)NC2=CC=CC=C2 |
| InChIKey | YWVRFLPOLDGBCK-UHFFFAOYSA-N |
Product Overview
苯胺甲酸-1-环己基-2-丙炔-1-基酯 (CAS 100836-83-7), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: 1-cyclohexylprop-2-ynyl N-phenylcarbamate.
Chemical Property Profile of 苯胺甲酸-1-环己基-2-丙炔-1-基酯
Property Insights of 苯胺甲酸-1-环己基-2-丙炔-1-基酯
The XLogP value of 4.0 indicates that 苯胺甲酸-1-环己基-2-丙炔-1-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 苯胺甲酸-1-环己基-2-丙炔-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯胺甲酸-1-环己基-2-丙炔-1-基酯 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 苯胺甲酸-1-环己基-2-丙炔-1-基酯?
The CAS number of 苯胺甲酸-1-环己基-2-丙炔-1-基酯 is 100836-83-7.
What is the molecular formula of 苯胺甲酸-1-环己基-2-丙炔-1-基酯?
The molecular formula of 苯胺甲酸-1-环己基-2-丙炔-1-基酯 is C16H19NO2.
What is the molecular weight of 苯胺甲酸-1-环己基-2-丙炔-1-基酯?
The molecular weight of 苯胺甲酸-1-环己基-2-丙炔-1-基酯 is 257.14 g/mol.
Where can I buy 苯胺甲酸-1-环己基-2-丙炔-1-基酯?
You can request a quote for 苯胺甲酸-1-环己基-2-丙炔-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯胺甲酸-1-环己基-2-丙炔-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 苯胺甲酸-1-环己基-2-丙炔-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.