![({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/855/855993-74-7.png)
({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 855993-74-7) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 2.04534 |
| Topological Polar Surface Area | 127.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 1088.6075 |
Chemical Identifiers
| CAS Number | 855993-74-7 |
|---|---|
| SMILES | CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)COC(=O)C3=C(N=CC=C3)SC)C |
Product Overview
({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 855993-74-7), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: [2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 2.04534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 127.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 855993-74-7.
What is the molecular formula of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C17H16N4O5S.
What is the molecular weight of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 388.08 g/mol.
Where can I buy ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ({1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.