![1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole structure](/static/products/3012/301233-95-4.webp)
1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
TL;DR: 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole (CAS 301233-95-4) is a chemical compound with molecular formula C18H14BrN3O3S and molecular weight 430.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone
Also Known As: 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole, AE-848/10314052, F0755-0117, 1-(2-BROMOBENZOYL)-3,5-DIMETHYL-4-((4-NITROPHENYL)THIO)-1H-PYRAZOLE, (2-bromophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone
| Molecular Formula | C18H14BrN3O3S |
|---|---|
| Molecular Weight | 430.99 g/mol |
| LogP | 5.01034 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.99393 |
| Heavy Atoms | 26 |
| Complexity | 999.41595 |
Chemical Identifiers
| CAS Number | 301233-95-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)SC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole (CAS 301233-95-4), with molecular formula C18H14BrN3O3S and molecular weight 430.99 g/mol. IUPAC: (2-bromophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone.
Chemical Property Profile of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
Property Insights of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
The XLogP value of 5.01034 indicates that 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole. Following Lipinski's Rule of Five, 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole?
The CAS number of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole is 301233-95-4.
What is the molecular formula of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole?
The molecular formula of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole is C18H14BrN3O3S.
What is the molecular weight of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole?
The molecular weight of 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole is 430.99 g/mol.
Where can I buy 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole?
You can request a quote for 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-bromobenzoyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.