![1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea structure](/static/products/348/348165-04-8.png)
1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea
TL;DR: 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea (CAS 348165-04-8) is a chemical compound with molecular formula C18H16BrN3O4S and molecular weight 449.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(4-bromophenyl)-N-((4-ethoxy-2-nitrophenyl)carbamothioyl)acrylamide, 3-(4-bromophenyl)-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]prop-2-enamide, N-[3-(4-BROMOPHENYL)ACRYLOYL]-N'-(4-ETHOXY-2-NITROPHENYL)THIOUREA, (2E)-3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide, (E)-3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
| Molecular Formula | C18H16BrN3O4S |
|---|---|
| Molecular Weight | 449.00 g/mol |
| LogP | 4.2824 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0045 |
| Heavy Atoms | 27 |
| Complexity | 884.67554 |
Chemical Identifiers
| CAS Number | 348165-04-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br)[N+](=O)[O-] |
Product Overview
1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea (CAS 348165-04-8), with molecular formula C18H16BrN3O4S and molecular weight 449.00 g/mol. IUPAC: (E)-3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea
Property Insights of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea
The XLogP value of 4.2824 indicates that 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea. Following Lipinski's Rule of Five, 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea has 2 hydrogen bond donor(s) and 5 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-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea?
The CAS number of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea is 348165-04-8.
What is the molecular formula of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea?
The molecular formula of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea is C18H16BrN3O4S.
What is the molecular weight of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea?
The molecular weight of 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea is 449.00 g/mol.
Where can I buy 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea?
You can request a quote for 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-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-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-3-(4-Bromo-phenyl)-acryloyl]-3-(4-ethoxy-2-nitro-phenyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.