![butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate structure](/static/products/4918/491830-70-7.webp)
butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate
TL;DR: butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 491830-70-7) is a chemical compound with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
Also Known As: butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate, butyl 4-(1-methyl-4-nitro-1H-pyrazole-5-carboxamido)benzoate, butyl 4-[(2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoate, butyl 4-[({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)amino]benzoate
| Molecular Formula | C16H18N4O5 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 2.5375 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.12772 |
| Heavy Atoms | 25 |
| Complexity | 782.3228 |
Chemical Identifiers
| CAS Number | 491830-70-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] |
Product Overview
butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 491830-70-7), with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol. IUPAC: butyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate
Property Insights of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 2.5375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}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 butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The CAS number of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 491830-70-7.
What is the molecular formula of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate is C16H18N4O5.
What is the molecular weight of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 346.13 g/mol.
Where can I buy butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.