1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea
TL;DR: 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea (CAS 890330-67-3) is a chemical compound with molecular formula C14H17FN2O and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea
Also Known As: 1-(3-ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea, N-(1,1-DIETHYL-2-PROPYNYL)-N'-(3-FLUOROPHENYL)UREA, N-(1,1-diethylprop-2-ynyl)[(3-fluorophenyl)amino]carboxamide
| Molecular Formula | C14H17FN2O |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 3.1392 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.13249 |
| Heavy Atoms | 18 |
| Complexity | 461.10696 |
Chemical Identifiers
| CAS Number | 890330-67-3 |
|---|---|
| SMILES | CCC(CC)(C#C)NC(=O)NC1=CC(=CC=C1)F |
Product Overview
1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea (CAS 890330-67-3), with molecular formula C14H17FN2O and molecular weight 248.13 g/mol. IUPAC: 1-(3-ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea.
Chemical Property Profile of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea
Property Insights of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea
The XLogP value of 3.1392 indicates that 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea 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-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea has 2 hydrogen bond donor(s) and 1 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-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea?
The CAS number of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea is 890330-67-3.
What is the molecular formula of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea?
The molecular formula of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea is C14H17FN2O.
What is the molecular weight of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea?
The molecular weight of 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea is 248.13 g/mol.
Where can I buy 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea?
You can request a quote for 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethylpent-1-yn-3-yl)-3-(3-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.