![[5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate structure](/static/products/3811/381165-91-9.webp)
[5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate
TL;DR: [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate (CAS 381165-91-9) is a chemical compound with molecular formula C23H16N4O6S and molecular weight 476.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-(2-nitrophenyl)sulfanyl-1-phenylpyrazol-5-yl] 2-nitrobenzoate
Also Known As: F0569-0175, [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate, 3-methyl-4-((2-nitrophenyl)thio)-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate, [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-nitrobenzoate, 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate
| Molecular Formula | C23H16N4O6S |
|---|---|
| Molecular Weight | 476.08 g/mol |
| LogP | 5.36752 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.07904 |
| Heavy Atoms | 34 |
| Complexity | 1403.853 |
Chemical Identifiers
| CAS Number | 381165-91-9 |
|---|---|
| SMILES | CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
[5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate (CAS 381165-91-9), with molecular formula C23H16N4O6S and molecular weight 476.08 g/mol. IUPAC: [3-methyl-4-(2-nitrophenyl)sulfanyl-1-phenylpyrazol-5-yl] 2-nitrobenzoate.
Chemical Property Profile of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate
Property Insights of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate
The XLogP value of 5.36752 indicates that [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate. Following Lipinski's Rule of Five, [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate?
The CAS number of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate is 381165-91-9.
What is the molecular formula of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate?
The molecular formula of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate is C23H16N4O6S.
What is the molecular weight of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate?
The molecular weight of [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate is 476.08 g/mol.
Where can I buy [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate?
You can request a quote for [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.