WX2BMJ5X2F
TL;DR: WX2BMJ5X2F (CAS 50450-99-2) is a chemical compound with molecular formula C11H10N4O7 and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-hydroxy-7-methoxy-2-nitropyrrolo[2,3-d]pyridazin-3-yl)-2-oxoacetate
Also Known As: Ethyl (5-hydroxy-2-(hydroxy(oxido)amino)-7-methoxy-1H-5lambda(5)-pyrrolo(2,3-d)pyridazin-3-yl)(oxo)acetate, ethyl 2-(5-hydroxy-7-methoxy-2-nitropyrrolo[2,3-d]pyridazin-3-yl)-2-oxoacetate, ethyl 2-(7-methoxy-2-nitro-5-oxido-1H-pyrrolo[2,3-d]pyridazin-5-ium-3-yl)-2-oxo-acetate, 1H-Pyrrolo[2,3-d]pyridazine-3-acetic acid, 7-methoxy-2-nitro-alpha-oxo-, ethyl ester, 5-oxide, Ethyl (5-hydroxy-2-(hydroxy(oxido)amino)-7-methoxy-1H-5.lambda.~5~-pyrrolo[2,3-d]pyridazin-3-yl)(oxo)acetate
| Molecular Formula | C11H10N4O7 |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.05496 |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 50450-99-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=C(N=C2C1=CN(N=C2OC)O)[N+](=O)[O-] |
| InChIKey | SJXFTZGRUZHROG-UHFFFAOYSA-N |
Product Overview
WX2BMJ5X2F (CAS 50450-99-2), with molecular formula C11H10N4O7 and molecular weight 310.05 g/mol. IUPAC: ethyl 2-(5-hydroxy-7-methoxy-2-nitropyrrolo[2,3-d]pyridazin-3-yl)-2-oxoacetate.
Chemical Property Profile of WX2BMJ5X2F
Property Insights of WX2BMJ5X2F
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WX2BMJ5X2F. The TPSA of 149.0 Ų indicates high polarity, suggesting WX2BMJ5X2F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WX2BMJ5X2F has 1 hydrogen bond donor(s) and 9 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 WX2BMJ5X2F?
The CAS number of WX2BMJ5X2F is 50450-99-2.
What is the molecular formula of WX2BMJ5X2F?
The molecular formula of WX2BMJ5X2F is C11H10N4O7.
What is the molecular weight of WX2BMJ5X2F?
The molecular weight of WX2BMJ5X2F is 310.05 g/mol.
Where can I buy WX2BMJ5X2F?
You can request a quote for WX2BMJ5X2F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WX2BMJ5X2F?
Yes, KEHONG BIO provides custom synthesis services for WX2BMJ5X2F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.