![(2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide structure](/static/products/528/528561-39-9.png)
(2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide
TL;DR: (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide (CAS 528561-39-9) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]thiourea
Also Known As: (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide, (E)-N-ethyl-2-(4-methoxy-3-((3-methyl-4-nitrophenoxy)methyl)benzylidene)hydrazinecarbothioamide, [((1E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-azavinyl)amin o](ethylamino)methane-1-thione, 1-ethyl-3-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]thiourea
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 3.30872 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 886.2325 |
Chemical Identifiers
| CAS Number | 528561-39-9 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC(=C(C=C1)OC)COC2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
(2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide (CAS 528561-39-9), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: 1-ethyl-3-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]thiourea.
Chemical Property Profile of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide
Property Insights of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide
The XLogP value of 3.30872 indicates that (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 6 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 (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide?
The CAS number of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide is 528561-39-9.
What is the molecular formula of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide?
The molecular formula of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide is C19H22N4O4S.
What is the molecular weight of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide?
The molecular weight of (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide is 402.14 g/mol.
Where can I buy (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide?
You can request a quote for (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-ethyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.