![3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid structure](/static/products/4829/4829-90-7.webp)
3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
TL;DR: 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid (CAS 4829-90-7) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
Also Known As: 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid, 3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid, 3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-, 3-((1-Benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1H-imidazo[4,5-d]pyridazin-2-yl)thio)propanoic acid, Propanoic acid, 3-[[4,5,6,7-tetrahydro-4,7-dioxo-1-(phenylmethyl)-1H-imidazo[4,5-d]pyridazin-2-yl]thio]-
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 4829-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCCC(=O)O |
| InChIKey | TYRCTZGCLVVXNK-UHFFFAOYSA-N |
Product Overview
3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid (CAS 4829-90-7), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: 3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
Property Insights of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid has 3 hydrogen bond donor(s) and 6 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 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid?
The CAS number of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid is 4829-90-7.
What is the molecular formula of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid?
The molecular formula of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid is C15H14N4O4S.
What is the molecular weight of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid?
The molecular weight of 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid is 346.07 g/mol.
Where can I buy 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid?
You can request a quote for 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.