![4-[(3-Nitrophenyl)amino]-3-penten-2-one structure](/static/products/6890/68903-25-3.webp)
4-[(3-Nitrophenyl)amino]-3-penten-2-one
TL;DR: 4-[(3-Nitrophenyl)amino]-3-penten-2-one (CAS 68903-25-3) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitroanilino)pent-3-en-2-one
Also Known As: 4-(3-nitroanilino)pent-3-en-2-one, 4-[(3-Nitrophenyl)amino]-3-penten-2-one, 4-(3-nitrophenylamino)-3-penten-2-one
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.4995 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 452.29782 |
Chemical Identifiers
| CAS Number | 68903-25-3 |
|---|---|
| SMILES | CC(=CC(=O)C)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
4-[(3-Nitrophenyl)amino]-3-penten-2-one (CAS 68903-25-3), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 4-(3-nitroanilino)pent-3-en-2-one.
Chemical Property Profile of 4-[(3-Nitrophenyl)amino]-3-penten-2-one
Property Insights of 4-[(3-Nitrophenyl)amino]-3-penten-2-one
The XLogP value of 2.4995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Nitrophenyl)amino]-3-penten-2-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Nitrophenyl)amino]-3-penten-2-one. Following Lipinski's Rule of Five, 4-[(3-Nitrophenyl)amino]-3-penten-2-one has 1 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 4-[(3-Nitrophenyl)amino]-3-penten-2-one?
The CAS number of 4-[(3-Nitrophenyl)amino]-3-penten-2-one is 68903-25-3.
What is the molecular formula of 4-[(3-Nitrophenyl)amino]-3-penten-2-one?
The molecular formula of 4-[(3-Nitrophenyl)amino]-3-penten-2-one is C11H12N2O3.
What is the molecular weight of 4-[(3-Nitrophenyl)amino]-3-penten-2-one?
The molecular weight of 4-[(3-Nitrophenyl)amino]-3-penten-2-one is 220.08 g/mol.
Where can I buy 4-[(3-Nitrophenyl)amino]-3-penten-2-one?
You can request a quote for 4-[(3-Nitrophenyl)amino]-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Nitrophenyl)amino]-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Nitrophenyl)amino]-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.