5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one
TL;DR: 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one (CAS 97120-13-3) is a chemical compound with molecular formula C12H11BrN2O3S and molecular weight 341.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfonyl-4-bromo-2-methylpyridazin-3-one
Also Known As: BBMP, 5-benzylsulfonyl-4-bromo-2-methylpyridazin-3-one, Tox21_500735, SDCCGSBI-0633751.P001, 5-(BENZYLSULFONYL)-4-BROMO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE
| Molecular Formula | C12H11BrN2O3S |
|---|---|
| Molecular Weight | 341.97 g/mol |
| LogP | 1.5167 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.96738 |
| Heavy Atoms | 19 |
| Complexity | 754.2891 |
Chemical Identifiers
| CAS Number | 97120-13-3 |
|---|---|
| SMILES | CN1C(=O)C(=C(C=N1)S(=O)(=O)CC2=CC=CC=C2)Br |
Product Overview
5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one (CAS 97120-13-3), with molecular formula C12H11BrN2O3S and molecular weight 341.97 g/mol. IUPAC: 5-benzylsulfonyl-4-bromo-2-methylpyridazin-3-one.
Chemical Property Profile of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one
Property Insights of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one
The XLogP value of 1.5167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one. Following Lipinski's Rule of Five, 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one has 0 hydrogen bond donor(s) and 4 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 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one?
The CAS number of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one is 97120-13-3.
What is the molecular formula of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one?
The molecular formula of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one is C12H11BrN2O3S.
What is the molecular weight of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one?
The molecular weight of 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one is 341.97 g/mol.
Where can I buy 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one?
You can request a quote for 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfonyl-4-bromo-2-methylpyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.