1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea
TL;DR: 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea (CAS 701289-27-2) is a chemical compound with molecular formula C16H20N2OS and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea
Also Known As: 1-(3-acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea, N-(3-acetylphenyl)-N'-(1,1-diethyl-2-propyn-1-yl)thiourea, 1-acetyl-3-({[(1,1-diethylprop-2-ynyl)amino]thioxomethyl}amino)benzene
| Molecular Formula | C16H20N2OS |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.3676 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.12964 |
| Heavy Atoms | 20 |
| Complexity | 541.653 |
Chemical Identifiers
| CAS Number | 701289-27-2 |
|---|---|
| SMILES | CCC(CC)(C#C)NC(=S)NC1=CC=CC(=C1)C(=O)C |
Product Overview
1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea (CAS 701289-27-2), with molecular formula C16H20N2OS and molecular weight 288.13 g/mol. IUPAC: 1-(3-acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea.
Chemical Property Profile of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea
Property Insights of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea
The XLogP value of 3.3676 indicates that 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea has 2 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-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea?
The CAS number of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea is 701289-27-2.
What is the molecular formula of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea?
The molecular formula of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea is C16H20N2OS.
What is the molecular weight of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea?
The molecular weight of 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea is 288.13 g/mol.
Where can I buy 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea?
You can request a quote for 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.