![1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea structure](/static/products/4129/412963-93-0.webp)
1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea
TL;DR: 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea (CAS 412963-93-0) is a chemical compound with molecular formula C16H12FIN2OS and molecular weight 425.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide
Also Known As: BAS 00224351, 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea, (E)-3-(4-fluorophenyl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide, (E)-3-(4-fluorophenyl)-N-((4-iodophenyl)carbamothioyl)acrylamide, N-[3-(4-FLUOROPHENYL)ACRYLOYL]-N'-(4-IODOPHENYL)THIOUREA
| Molecular Formula | C16H12FIN2OS |
|---|---|
| Molecular Weight | 425.97 g/mol |
| LogP | 3.9567 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.9699 |
| Heavy Atoms | 22 |
| Complexity | 699.0907 |
Chemical Identifiers
| CAS Number | 412963-93-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)I)F |
Product Overview
1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea (CAS 412963-93-0), with molecular formula C16H12FIN2OS and molecular weight 425.97 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-N-[(4-iodophenyl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea
Property Insights of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea
The XLogP value of 3.9567 indicates that 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-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-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-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-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea?
The CAS number of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea is 412963-93-0.
What is the molecular formula of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea?
The molecular formula of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea is C16H12FIN2OS.
What is the molecular weight of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea?
The molecular weight of 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea is 425.97 g/mol.
Where can I buy 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea?
You can request a quote for 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-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-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Fluoro-phenyl)-acryloyl]-3-(4-iodo-phenyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.