![2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide structure](/static/products/7722/77229-38-0.webp)
2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide
TL;DR: 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide (CAS 77229-38-0) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-nitrophenoxy)acetyl]amino]-3-phenylthiourea
Also Known As: 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide, 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-phenylthiourea, 2-[2-(4-nitrophenoxy)acetyl]-N-phenyl-1-hydrazinecarbothioamide, 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-phenyl-thiourea, 3-[[2-(4-nitrophenoxy)acetyl]amino]-1-phenyl-thiourea
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 1.9914 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 722.01373 |
Chemical Identifiers
| CAS Number | 77229-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide (CAS 77229-38-0), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide
Property Insights of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide
The XLogP value of 1.9914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide. Following Lipinski's Rule of Five, 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide 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 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide?
The CAS number of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide is 77229-38-0.
What is the molecular formula of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide?
The molecular formula of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide is C15H14N4O4S.
What is the molecular weight of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide?
The molecular weight of 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide is 346.07 g/mol.
Where can I buy 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide?
You can request a quote for 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenoxy)-N-[(phenylcarbamothioyl)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.