![N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea structure](/static/products/116/1164550-50-8.png)
N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea
TL;DR: N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea (CAS 1164550-50-8) is a chemical compound with molecular formula C13H15FN2OS and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide
Also Known As: N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea, AN-329/42581128, (E)-3-(4-fluorophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide, 3-(4-fluorophenyl)-N-[(isopropylamino)carbonothioyl]acrylamide, (2E)-3-(4-fluorophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide
| Molecular Formula | C13H15FN2OS |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 2.238 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0889 |
| Heavy Atoms | 18 |
| Complexity | 454.56396 |
Chemical Identifiers
| CAS Number | 1164550-50-8 |
|---|---|
| SMILES | CC(C)NC(=S)NC(=O)/C=C/C1=CC=C(C=C1)F |
Product Overview
N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea (CAS 1164550-50-8), with molecular formula C13H15FN2OS and molecular weight 266.09 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide.
Chemical Property Profile of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea
Property Insights of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea
The XLogP value of 2.238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea. With a topological polar surface area (TPSA) of 41.13 Ų, N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea 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 N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea?
The CAS number of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea is 1164550-50-8.
What is the molecular formula of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea?
The molecular formula of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea is C13H15FN2OS.
What is the molecular weight of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea?
The molecular weight of N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea is 266.09 g/mol.
Where can I buy N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea?
You can request a quote for N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-fluorophenyl)acryloyl]-N'-isopropylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.