ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate
TL;DR: ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate (CAS 902662-34-4) is a chemical compound with molecular formula C16H18BrN5O3S and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]carbamothioylamino]benzoate
Also Known As: ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate, ethyl 4-[[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]carbamothioylamino]benzoate, ethyl 4-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethyl )amino]benzoate, ethyl 4-[({2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)amino]benzoate
| Molecular Formula | C16H18BrN5O3S |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 2.29912 |
| Topological Polar Surface Area | 97.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.03137 |
| Heavy Atoms | 26 |
| Complexity | 835.15594 |
Chemical Identifiers
| CAS Number | 902662-34-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br |
Product Overview
ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate (CAS 902662-34-4), with molecular formula C16H18BrN5O3S and molecular weight 439.03 g/mol. IUPAC: ethyl 4-[[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate
Property Insights of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate
The XLogP value of 2.29912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate. The TPSA of 97.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate 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 ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate?
The CAS number of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate is 902662-34-4.
What is the molecular formula of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular formula of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate is C16H18BrN5O3S.
What is the molecular weight of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular weight of ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate is 439.03 g/mol.
Where can I buy ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate?
You can request a quote for ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.