1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
TL;DR: 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide (CAS 891634-78-9) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-nitrophenyl)thiourea
Also Known As: 2-(4-ethylphenoxy)-N-{[(4-nitrophenyl)carbamothioyl]amino}acetamide, 1-(2-(4-ETHYLPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE, 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-nitrophenyl)thiourea, 3-[[2-(4-ethylphenoxy)acetyl]amino]-1-(4-nitrophenyl)thiourea, 2-[2-(4-ethylphenoxy)acetyl]-N-(4-nitrophenyl)-1-hydrazinecarbothioamide
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 2.5538 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 778.3548 |
Chemical Identifiers
| CAS Number | 891634-78-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide (CAS 891634-78-9), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
Property Insights of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
The XLogP value of 2.5538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide. Following Lipinski's Rule of Five, 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide 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-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The CAS number of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is 891634-78-9.
What is the molecular formula of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The molecular formula of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is C17H18N4O4S.
What is the molecular weight of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The molecular weight of 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is 374.10 g/mol.
Where can I buy 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
You can request a quote for 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(4-Ethylphenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.