![2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/7008/700854-12-2.webp)
2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 700854-12-2) is a chemical compound with molecular formula C17H14N6OS and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 3H-pyrazol-3-one, 2,4-dihydro-2-phenyl-5-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-, 2-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one, 1-phenyl-3-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-1H-pyrazol-5(4H)-one, 2-PHENYL-5-[[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]METHYL]-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C17H14N6OS |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 2.5473 |
| Topological Polar Surface Area | 76.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.09497 |
| Heavy Atoms | 25 |
| Complexity | 909.1571 |
Chemical Identifiers
| CAS Number | 700854-12-2 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=CC=C2)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 700854-12-2), with molecular formula C17H14N6OS and molecular weight 350.09 g/mol. IUPAC: 2-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.5473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 76.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one has 0 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 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 700854-12-2.
What is the molecular formula of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is C17H14N6OS.
What is the molecular weight of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 350.09 g/mol.
Where can I buy 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.