![(2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide structure](/static/products/528/528590-99-0.png)
(2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
TL;DR: (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 528590-99-0) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide, (E)-N-allyl-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](prop-2-enylamino)methane-1-thione, 1-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 3.47482 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 930.6924 |
Chemical Identifiers
| CAS Number | 528590-99-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)/C=N/NC(=S)NCC=C)OC)[N+](=O)[O-] |
Product Overview
(2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 528590-99-0), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: 1-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Property Insights of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
The XLogP value of 3.47482 indicates that (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)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)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)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)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The CAS number of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 528590-99-0.
What is the molecular formula of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is C20H22N4O4S.
What is the molecular weight of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 414.14 g/mol.
Where can I buy (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.