1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole
TL;DR: 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole (CAS 301160-50-9) is a chemical compound with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
Also Known As: UPCMLD0ENAT0501-1814:001, 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole, F0755-0016, (2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone, (2-bromophenyl)(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)methanone
| Molecular Formula | C18H15BrN2OS |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 5.10214 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.00885 |
| Heavy Atoms | 23 |
| Complexity | 858.7131 |
Chemical Identifiers
| CAS Number | 301160-50-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)SC3=CC=CC=C3 |
Product Overview
1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole (CAS 301160-50-9), with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol. IUPAC: (2-bromophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole
Property Insights of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole
The XLogP value of 5.10214 indicates that 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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-(phenylthio)-1H-pyrazole?
The CAS number of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole is 301160-50-9.
What is the molecular formula of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole?
The molecular formula of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole is C18H15BrN2OS.
What is the molecular weight of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole?
The molecular weight of 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole is 386.01 g/mol.
Where can I buy 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole?
You can request a quote for 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-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-(phenylthio)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-bromobenzoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.