Bionet1_000519
TL;DR: Bionet1_000519 (CAS 338756-25-5) is a chemical compound with molecular formula C17H12ClN3O4S and molecular weight 389.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-oxopyridazine-3-carboxylate
Also Known As: Bionet1_000519, 2-{[1-(4-chlorophenyl)-3-(methoxycarbonyl)-6-oxo-1,6-dihydro-4-pyridazinyl]sulfanyl}-1-pyridiniumolate, 2-{[1-(4-chlorophenyl)-3-(methoxycarbonyl)-6-oxo-1,6-dihydropyridazin-4-yl]sulfanyl}pyridin-1-ium-1-olate, methyl 1-(4-chlorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-oxopyridazine-3-carboxylate
| Molecular Formula | C17H12ClN3O4S |
|---|---|
| Molecular Weight | 389.02 g/mol |
| LogP | 2.4571 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0237 |
| Heavy Atoms | 26 |
| Complexity | 1021.2617 |
Chemical Identifiers
| CAS Number | 338756-25-5 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=[N+]2[O-])C3=CC=C(C=C3)Cl |
Product Overview
Bionet1_000519 (CAS 338756-25-5), with molecular formula C17H12ClN3O4S and molecular weight 389.02 g/mol. IUPAC: methyl 1-(4-chlorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of Bionet1_000519
Property Insights of Bionet1_000519
The XLogP value of 2.4571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000519. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000519. Following Lipinski's Rule of Five, Bionet1_000519 has 0 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 Bionet1_000519?
The CAS number of Bionet1_000519 is 338756-25-5.
What is the molecular formula of Bionet1_000519?
The molecular formula of Bionet1_000519 is C17H12ClN3O4S.
What is the molecular weight of Bionet1_000519?
The molecular weight of Bionet1_000519 is 389.02 g/mol.
Where can I buy Bionet1_000519?
You can request a quote for Bionet1_000519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000519?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.