1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol
TL;DR: 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol (CAS 3438-72-0) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-sulfanylidene-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol, 1H-Imidazo(4,5-d)pyridazine-4,7-dione, 2,3,5,6-tetrahydro-1-(phenylmethyl)-2-thioxo-, AM-944/40947869, 1-benzyl-2-sulfanyl-1H-imidazo[4,5-d]pyridazine-4,7-diol, 3-benzyl-2-sulfanylidene-5,6-dihydro-1H-imidazo[4,5-d]pyrida
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 1.12379 |
| Topological Polar Surface Area | 86.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 901.10944 |
Chemical Identifiers
| CAS Number | 3438-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)NC2=S |
Product Overview
1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol (CAS 3438-72-0), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 3-benzyl-2-sulfanylidene-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione.
Chemical Property Profile of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol
Property Insights of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol
The XLogP value of 1.12379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol. The TPSA of 86.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol. Following Lipinski's Rule of Five, 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol has 3 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 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol?
The CAS number of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol is 3438-72-0.
What is the molecular formula of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol?
The molecular formula of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol is C12H10N4O2S.
What is the molecular weight of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol?
The molecular weight of 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol is 274.05 g/mol.
Where can I buy 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol?
You can request a quote for 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol 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-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-mercapto-1H-imidazo(4,5-d)pyridazine-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.