methyl hydroximinoacetate
TL;DR: methyl hydroximinoacetate (CAS 31768-46-4) is a chemical compound with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Also Known As: methyl hydroximinoacetate, EINECS 250-793-4, Ethyl 4-((3-(aminocarbonyl)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoate, ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate, ETHYL 4-[[3-(AMINOCARBONYL)-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL]AZO]BENZOATE
| Molecular Formula | C19H17N5O4 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 2.2037 |
| Topological Polar Surface Area | 126.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.12805 |
| Heavy Atoms | 28 |
| Complexity | 954.0491 |
Chemical Identifiers
| CAS Number | 31768-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)N |
Product Overview
methyl hydroximinoacetate (CAS 31768-46-4), with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol. IUPAC: ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of methyl hydroximinoacetate
Property Insights of methyl hydroximinoacetate
The XLogP value of 2.2037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl hydroximinoacetate. The TPSA of 126.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl hydroximinoacetate. Following Lipinski's Rule of Five, methyl hydroximinoacetate has 1 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 methyl hydroximinoacetate?
The CAS number of methyl hydroximinoacetate is 31768-46-4.
What is the molecular formula of methyl hydroximinoacetate?
The molecular formula of methyl hydroximinoacetate is C19H17N5O4.
What is the molecular weight of methyl hydroximinoacetate?
The molecular weight of methyl hydroximinoacetate is 379.13 g/mol.
Where can I buy methyl hydroximinoacetate?
You can request a quote for methyl hydroximinoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl hydroximinoacetate?
Yes, KEHONG BIO provides custom synthesis services for methyl hydroximinoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.