methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate
TL;DR: methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate (CAS 1005598-39-9) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]benzoate
Also Known As: methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate, methyl 3-[[2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]benzoate, METHYL 3-({2-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOYL}AMINO)BENZOATE, methyl 3-[({2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]benzoate, Methyl 3-[[2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzoate
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 3.18692 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1089.9806 |
Chemical Identifiers
| CAS Number | 1005598-39-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate (CAS 1005598-39-9), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: methyl 3-[[2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]benzoate.
Chemical Property Profile of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate
Property Insights of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate
The XLogP value of 3.18692 indicates that methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate. Following Lipinski's Rule of Five, methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate has 1 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 methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate?
The CAS number of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate is 1005598-39-9.
What is the molecular formula of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate?
The molecular formula of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate is C20H18N4O5.
What is the molecular weight of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate?
The molecular weight of methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate is 394.13 g/mol.
Where can I buy methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate?
You can request a quote for methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.