BAS 00546718
TL;DR: BAS 00546718 (CAS 301337-57-5) is a chemical compound with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
Also Known As: BAS 00546718, AE-641/00390058, F0433-0589, 4-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzene-1-sulfonamide, 4-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
| Molecular Formula | C17H16BrN3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 3.04772 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.00958 |
| Heavy Atoms | 25 |
| Complexity | 1068.821 |
Chemical Identifiers
| CAS Number | 301337-57-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 00546718 (CAS 301337-57-5), with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol. IUPAC: 4-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide.
Chemical Property Profile of BAS 00546718
Property Insights of BAS 00546718
The XLogP value of 3.04772 indicates that BAS 00546718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00546718. Following Lipinski's Rule of Five, BAS 00546718 has 1 hydrogen bond donor(s) and 3 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 BAS 00546718?
The CAS number of BAS 00546718 is 301337-57-5.
What is the molecular formula of BAS 00546718?
The molecular formula of BAS 00546718 is C17H16BrN3O3S.
What is the molecular weight of BAS 00546718?
The molecular weight of BAS 00546718 is 421.01 g/mol.
Where can I buy BAS 00546718?
You can request a quote for BAS 00546718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00546718?
Yes, KEHONG BIO provides custom synthesis services for BAS 00546718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.