![4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid structure](/static/products/3290/329042-48-0.webp)
4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid
TL;DR: 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid (CAS 329042-48-0) is a chemical compound with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid
Also Known As: 4-((5-Nitropyridin-2-yl)amino)-4-oxobut-2-enoic acid, 3-[(5-nitropyridin-2-yl)carbamoyl]prop-2-enoic acid, 4-[(5-nitropyridin-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C9H7N3O5 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 0.5691 |
| Topological Polar Surface Area | 122.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.03857 |
| Heavy Atoms | 17 |
| Complexity | 479.90964 |
Chemical Identifiers
| CAS Number | 329042-48-0 |
|---|---|
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])NC(=O)C=CC(=O)O |
Product Overview
4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid (CAS 329042-48-0), with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol. IUPAC: 4-[(5-nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid
Property Insights of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 0.5691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid. The TPSA of 122.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 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 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid is 329042-48-0.
What is the molecular formula of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid is C9H7N3O5.
What is the molecular weight of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid is 237.04 g/mol.
Where can I buy 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Nitro-2-pyridinyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.