![1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea structure](/static/products/955/955858-45-4.png)
1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea
TL;DR: 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea (CAS 955858-45-4) is a chemical compound with molecular formula C19H18N6O3S and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea
Also Known As: 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea, (2E)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-N-phenylhydrazinecarbothioamide, (E)-2-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)benzylidene)-N-phenylhydrazinecarbothioamide, [((1E)-2-{4-methoxy-3-[(4-nitropyrazolyl)methyl]phenyl}-1-azavinyl)amino](phen ylamino)methane-1-thione, 2-((E)-1-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}METHYLIDENE)-N-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C19H18N6O3S |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 3.1687 |
| Topological Polar Surface Area | 106.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.11612 |
| Heavy Atoms | 29 |
| Complexity | 1035.4336 |
Chemical Identifiers
| CAS Number | 955858-45-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)CN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea (CAS 955858-45-4), with molecular formula C19H18N6O3S and molecular weight 410.12 g/mol. IUPAC: 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea
Property Insights of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea
The XLogP value of 3.1687 indicates that 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea 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 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea?
The CAS number of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea is 955858-45-4.
What is the molecular formula of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea?
The molecular formula of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea is C19H18N6O3S.
What is the molecular weight of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea?
The molecular weight of 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea is 410.12 g/mol.
Where can I buy 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea?
You can request a quote for 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.