![ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate structure](/static/products/900/90012-60-5.png)
ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate
TL;DR: ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate (CAS 90012-60-5) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate
Also Known As: ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate, ethyl N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]carbamate, ethyl {[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonothioyl}carbamate, ethyl 4-(1-methyl-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureaoate, N-{[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))amino]thioxomethyl}ethoxyca rboxamide
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 90012-60-5 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
| InChIKey | SZTUOCWDJQXLRA-UHFFFAOYSA-N |
Product Overview
ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate (CAS 90012-60-5), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate.
Chemical Property Profile of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate
Property Insights of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate has 2 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 N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate?
The CAS number of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate is 90012-60-5.
What is the molecular formula of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate?
The molecular formula of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate is C15H18N4O3S.
What is the molecular weight of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate?
The molecular weight of ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate is 334.11 g/mol.
Where can I buy ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate?
You can request a quote for ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.