![methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate structure](/static/products/876/876722-49-5.png)
methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate
TL;DR: methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate (CAS 876722-49-5) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate
Also Known As: BAS 10302527, methyl 2-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methylamino]benzoate, methyl 2-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]benzoate, (E)-methyl 2-(((3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoate, methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.54862 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 682.4371 |
Chemical Identifiers
| CAS Number | 876722-49-5 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate (CAS 876722-49-5), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Property Insights of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate
The XLogP value of 1.54862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate has 2 hydrogen bond donor(s) and 4 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 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate?
The CAS number of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate is 876722-49-5.
What is the molecular formula of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate?
The molecular formula of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate is C13H13N3O3.
What is the molecular weight of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate?
The molecular weight of methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate is 259.10 g/mol.
Where can I buy methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate?
You can request a quote for methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.