1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯
TL;DR: 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 (CAS 10473-70-8) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯
[1-(4-chlorophenyl)-1-phenylprop-2-ynyl] carbamate
Also Known As: 1-(4-Chlorophenyl)-1-phenyl-2-propynyl carbamate, Benzenemethanol,2-ethoxy-4-nitro, 1-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamate, [1-(4-chlorophenyl)-1-phenylprop-2-ynyl] carbamate, 1-(4-chlorophenyl)-1-phenylprop-2-yn-1-yl carbamate
| Molecular Formula | C16H12ClNO2 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.05566 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 10473-70-8 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N |
| InChIKey | SXHWIUYWGJFLKB-UHFFFAOYSA-N |
Product Overview
1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 (CAS 10473-70-8), with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol. IUPAC: [1-(4-chlorophenyl)-1-phenylprop-2-ynyl] carbamate.
Chemical Property Profile of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯
Property Insights of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯
The XLogP value of 3.5 indicates that 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 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-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 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 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯?
The CAS number of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 is 10473-70-8.
What is the molecular formula of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯?
The molecular formula of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 is C16H12ClNO2.
What is the molecular weight of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯?
The molecular weight of 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 is 285.06 g/mol.
Where can I buy 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯?
You can request a quote for 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-氯苯基)-1-苯基-2-丙炔基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.