![1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione structure](/static/products/3517/35175-16-7.webp)
1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
TL;DR: 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione (CAS 35175-16-7) is a chemical compound with molecular formula C19H15BrN4O2S and molecular weight 442.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2-bromophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione, 3-benzyl-2-[(2-bromophenyl)methylsulfanyl]-5,6-dihydroimidaz, 3-benzyl-2-[(2-bromophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione, 2-(2-Brom-benzylmercapto)-1-benzyl-4,7-dihydroxy-1H-imidazo<4,5-d>pyridazin, 1-Benzyl-2-{[(2-bromophenyl)methyl]sulfanyl}-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
| Molecular Formula | C19H15BrN4O2S |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.00992 |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 35175-16-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC4=CC=CC=C4Br |
| InChIKey | WHDOBLLYPPVNKI-UHFFFAOYSA-N |
Product Overview
1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione (CAS 35175-16-7), with molecular formula C19H15BrN4O2S and molecular weight 442.01 g/mol. IUPAC: 3-benzyl-2-[(2-bromophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.
Chemical Property Profile of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
Property Insights of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
The XLogP value of 3.8 indicates that 1-benzyl-2-[(2-bromobenzyl)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-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione. Following Lipinski's Rule of Five, 1-benzyl-2-[(2-bromobenzyl)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-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The CAS number of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is 35175-16-7.
What is the molecular formula of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The molecular formula of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is C19H15BrN4O2S.
What is the molecular weight of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
The molecular weight of 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione is 442.01 g/mol.
Where can I buy 1-benzyl-2-[(2-bromobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione?
You can request a quote for 1-benzyl-2-[(2-bromobenzyl)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-bromobenzyl)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-bromobenzyl)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.