2-Nitro-3-phenylaminoprop-2-en-1-one
TL;DR: 2-Nitro-3-phenylaminoprop-2-en-1-one (CAS 40824-87-1) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-nitroprop-2-enal
Also Known As: 3-anilino-2-nitroprop-2-enal, 3-anilino-2-nitro-acrylaldehyde, 3-anilino-2-nitro-prop-2-enal, 2-nitro-3-phenylaminoprop-2-en-1-one
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.4155 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 359.57962 |
Chemical Identifiers
| CAS Number | 40824-87-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C=O)[N+](=O)[O-] |
Product Overview
2-Nitro-3-phenylaminoprop-2-en-1-one (CAS 40824-87-1), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 3-anilino-2-nitroprop-2-enal.
Chemical Property Profile of 2-Nitro-3-phenylaminoprop-2-en-1-one
Property Insights of 2-Nitro-3-phenylaminoprop-2-en-1-one
The XLogP value of 1.4155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-3-phenylaminoprop-2-en-1-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-3-phenylaminoprop-2-en-1-one. Following Lipinski's Rule of Five, 2-Nitro-3-phenylaminoprop-2-en-1-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 2-Nitro-3-phenylaminoprop-2-en-1-one?
The CAS number of 2-Nitro-3-phenylaminoprop-2-en-1-one is 40824-87-1.
What is the molecular formula of 2-Nitro-3-phenylaminoprop-2-en-1-one?
The molecular formula of 2-Nitro-3-phenylaminoprop-2-en-1-one is C9H8N2O3.
What is the molecular weight of 2-Nitro-3-phenylaminoprop-2-en-1-one?
The molecular weight of 2-Nitro-3-phenylaminoprop-2-en-1-one is 192.05 g/mol.
Where can I buy 2-Nitro-3-phenylaminoprop-2-en-1-one?
You can request a quote for 2-Nitro-3-phenylaminoprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-3-phenylaminoprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-3-phenylaminoprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.