![1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione structure](/static/products/4891/4891-73-0.webp)
1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
TL;DR: 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione (CAS 4891-73-0) is a chemical compound with molecular formula C19H14Cl2N4O2S and molecular weight 432.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione, 3-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione, 3-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5,6-dihydroi, 1H-Imidazo[4,5-d]pyridazine-4,7-diol,1-benzyl-2-[(2,6-dichlorobenzyl)thio]-(7CI,8CI), 1-Benzyl-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
| Molecular Formula | C19H14Cl2N4O2S |
|---|---|
| Molecular Weight | 432.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.02145 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 4891-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC4=C(C=CC=C4Cl)Cl |
| InChIKey | QCAJABHIHPZACV-UHFFFAOYSA-N |
Product Overview
1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione (CAS 4891-73-0), with molecular formula C19H14Cl2N4O2S and molecular weight 432.02 g/mol. IUPAC: 3-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.
Chemical Property Profile of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
Property Insights of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
The XLogP value of 4.4 indicates that 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione. Following Lipinski's Rule of Five, 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione has 2 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 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The CAS number of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is 4891-73-0.
What is the molecular formula of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The molecular formula of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is C19H14Cl2N4O2S.
What is the molecular weight of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The molecular weight of 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is 432.02 g/mol.
Where can I buy 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
You can request a quote for 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.