2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one
TL;DR: 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one (CAS 25819-05-0) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-chloro-5-sulfanylpyridazin-3-one
Also Known As: 2-benzyl-4-chloro-5-sulfanylpyridazin-3-one, 2-benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one, 2-benzyl-4-chloro-5-mercapto-2H-pyridazin-3-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 2.2337 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 553.6562 |
Chemical Identifiers
| CAS Number | 25819-05-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)S)Cl |
Product Overview
2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one (CAS 25819-05-0), with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol. IUPAC: 2-benzyl-4-chloro-5-sulfanylpyridazin-3-one.
Chemical Property Profile of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one
Property Insights of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one
The XLogP value of 2.2337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one 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 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one?
The CAS number of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one is 25819-05-0.
What is the molecular formula of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one?
The molecular formula of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one is C11H9ClN2OS.
What is the molecular weight of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one?
The molecular weight of 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one is 252.01 g/mol.
Where can I buy 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one?
You can request a quote for 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-chloro-5-mercapto-2,3-dihydropyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.