![N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide structure](/static/products/794/79451-53-9.png)
N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide
TL;DR: N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide (CAS 79451-53-9) is a chemical compound with molecular formula C13H14N6O2S and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)diazenyl]phenyl]acetamide
Also Known As: N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide, N-[4-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]phenyl]acetamide, N-[4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]phenyl]acetamide, N-[4-[2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]phenyl]acetamide, N-(4-(2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazineyl)phenyl)acetamide
| Molecular Formula | C13H14N6O2S |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 1.95032 |
| Topological Polar Surface Area | 117.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0899 |
| Heavy Atoms | 22 |
| Complexity | 802.9281 |
Chemical Identifiers
| CAS Number | 79451-53-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=C(C=C2)NC(=O)C |
Product Overview
N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide (CAS 79451-53-9), with molecular formula C13H14N6O2S and molecular weight 318.09 g/mol. IUPAC: N-[4-[(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)diazenyl]phenyl]acetamide.
Chemical Property Profile of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide
Property Insights of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide
The XLogP value of 1.95032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide. The TPSA of 117.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide. Following Lipinski's Rule of Five, N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide 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 N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide?
The CAS number of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide is 79451-53-9.
What is the molecular formula of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide?
The molecular formula of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide is C13H14N6O2S.
What is the molecular weight of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide?
The molecular weight of N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide is 318.09 g/mol.
Where can I buy N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide?
You can request a quote for N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]phenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.