![1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea structure](/static/products/5886/588682-71-7.webp)
1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea
TL;DR: 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea (CAS 588682-71-7) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea
Also Known As: 1-ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea, 1-ethyl-3-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiourea, N-ethyl-2-[(3-methyl-4-nitrophenoxy)acetyl]hydrazinecarbothioamide, N-{[(ethylamino)thioxomethyl]amino}-2-(3-methyl-4-nitrophenoxy)acetamide
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 0.79722 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 550.059 |
Chemical Identifiers
| CAS Number | 588682-71-7 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C |
Product Overview
1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea (CAS 588682-71-7), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: 1-ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea.
Chemical Property Profile of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea
Property Insights of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea
The XLogP value of 0.79722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea. Following Lipinski's Rule of Five, 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea has 3 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-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea?
The CAS number of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea is 588682-71-7.
What is the molecular formula of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea?
The molecular formula of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea is C12H16N4O4S.
What is the molecular weight of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea?
The molecular weight of 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea is 312.09 g/mol.
Where can I buy 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea?
You can request a quote for 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.