Bionet1_000517
TL;DR: Bionet1_000517 (CAS 338756-23-3) is a chemical compound with molecular formula C16H11ClN4O3S and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)-6-oxo-4-pyrimidin-2-ylsulfanylpyridazine-3-carboxylate
Also Known As: Bionet1_000517, methyl 1-(4-chlorophenyl)-6-oxo-4-(2-pyrimidinylsulfanyl)-1,6-dihydro-3-pyridazinecarboxylate, 5F-019, methyl 1-(4-chlorophenyl)-6-oxo-4-(pyrimidin-2-ylsulfanyl)-1,6-dihydropyridazine-3-carboxylate, methyl 1-(4-chlorophenyl)-6-oxo-4-pyrimidin-2-ylsulfanylpyridazine-3-carboxylate
| Molecular Formula | C16H11ClN4O3S |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 2.6137 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.02405 |
| Heavy Atoms | 25 |
| Complexity | 961.3639 |
Chemical Identifiers
| CAS Number | 338756-23-3 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C=C1SC2=NC=CC=N2)C3=CC=C(C=C3)Cl |
Product Overview
Bionet1_000517 (CAS 338756-23-3), with molecular formula C16H11ClN4O3S and molecular weight 374.02 g/mol. IUPAC: methyl 1-(4-chlorophenyl)-6-oxo-4-pyrimidin-2-ylsulfanylpyridazine-3-carboxylate.
Chemical Property Profile of Bionet1_000517
Property Insights of Bionet1_000517
The XLogP value of 2.6137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000517. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000517. Following Lipinski's Rule of Five, Bionet1_000517 has 0 hydrogen bond donor(s) and 7 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 Bionet1_000517?
The CAS number of Bionet1_000517 is 338756-23-3.
What is the molecular formula of Bionet1_000517?
The molecular formula of Bionet1_000517 is C16H11ClN4O3S.
What is the molecular weight of Bionet1_000517?
The molecular weight of Bionet1_000517 is 374.02 g/mol.
Where can I buy Bionet1_000517?
You can request a quote for Bionet1_000517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000517?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.