![3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea structure](/static/products/249/249516-34-5.png)
3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea
TL;DR: 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea (CAS 249516-34-5) is a chemical compound with molecular formula C19H18BrN5OS and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea, (2E)-2-(4-bromobenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide, (E)-2-(4-bromobenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide, 1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea, 4-[({[(1E)-2-(4-bromophenyl)-1-azavinyl]amino}thioxomethyl)amino]-2,3-dimethyl -1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C19H18BrN5OS |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 3.56742 |
| Topological Polar Surface Area | 63.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.04153 |
| Heavy Atoms | 27 |
| Complexity | 1038.4572 |
Chemical Identifiers
| CAS Number | 249516-34-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C/C3=CC=C(C=C3)Br |
Product Overview
3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea (CAS 249516-34-5), with molecular formula C19H18BrN5OS and molecular weight 443.04 g/mol. IUPAC: 1-[(E)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.
Chemical Property Profile of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea
Property Insights of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea
The XLogP value of 3.56742 indicates that 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea has 2 hydrogen bond donor(s) and 3 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 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea?
The CAS number of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea is 249516-34-5.
What is the molecular formula of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea?
The molecular formula of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea is C19H18BrN5OS.
What is the molecular weight of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea?
The molecular weight of 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea is 443.04 g/mol.
Where can I buy 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea?
You can request a quote for 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromophenyl)methylideneamino]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.