![2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide structure](/static/products/3454/34544-61-1.webp)
2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide
TL;DR: 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide (CAS 34544-61-1) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide
Also Known As: 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide, 2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide, 2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-, 2-Carbamoylmethylmercapto-1-benzyl-4,7-dihydroxy-1H-imidazo<4,5-d>pyridazin, Acetamide, 2-[[4,5,6,7-tetrahydro-4,7-dioxo-1-(phenylmethyl)-1H-imidazo[4,5-d]pyridazin-2-yl]thio]-
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 34544-61-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC(=O)N |
| InChIKey | BTDCYYVSUMIVAP-UHFFFAOYSA-N |
Product Overview
2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide (CAS 34544-61-1), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: 2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide
Property Insights of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide has 3 hydrogen bond donor(s) and 5 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-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide?
The CAS number of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide is 34544-61-1.
What is the molecular formula of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide?
The molecular formula of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide is C14H13N5O3S.
What is the molecular weight of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide?
The molecular weight of 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide is 331.07 g/mol.
Where can I buy 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide?
You can request a quote for 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.