![(2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid structure](/static/products/3684/36847-90-2.webp)
(2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid
TL;DR: (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid (CAS 36847-90-2) is a chemical compound with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(3-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 3'-methyl maleianilic acid, N-(3-Nitrophenyl)maleamic acid, (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid, N-(m-Nitrophenyl)maleamidic acid, N-(3-Nitrophenyl)maleamidic acid
| Molecular Formula | C10H8N2O5 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.1741 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.04332 |
| Heavy Atoms | 17 |
| Complexity | 495.22455 |
Chemical Identifiers
| CAS Number | 36847-90-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)/C=C\C(=O)O |
Product Overview
(2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid (CAS 36847-90-2), with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol. IUPAC: (Z)-4-(3-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid
Property Insights of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.1741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid 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 (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid is 36847-90-2.
What is the molecular formula of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid is C10H8N2O5.
What is the molecular weight of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid is 236.04 g/mol.
Where can I buy (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2Z)-4-[(3-nitrophenyl)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 (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-[(3-nitrophenyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.