![3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/879/879623-00-4.png)
3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879623-00-4) is a chemical compound with molecular formula C21H16ClN7OS and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-methyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(4-chlorophenyl)-2-methyl-5-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(4-chlorophenyl)-2-methyl-5-((1-phenyl-1H-tetrazol-5-ylthio)methyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-(4-chlorophenyl)-2-methyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one, 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C21H16ClN7OS |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 3.91942 |
| Topological Polar Surface Area | 93.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.08255 |
| Heavy Atoms | 31 |
| Complexity | 1424.1827 |
Chemical Identifiers
| CAS Number | 879623-00-4 |
|---|---|
| SMILES | CC1=C(C2=NC(=CC(=O)N2N1)CSC3=NN=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879623-00-4), with molecular formula C21H16ClN7OS and molecular weight 449.08 g/mol. IUPAC: 3-(4-chlorophenyl)-2-methyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 3.91942 indicates that 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one has 1 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 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is 879623-00-4.
What is the molecular formula of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is C21H16ClN7OS.
What is the molecular weight of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one is 449.08 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.