![2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one structure](/static/products/714/71496-93-0.png)
2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one
TL;DR: 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one (CAS 71496-93-0) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylidene]cyclopentan-1-one
Also Known As: 2-(4-nitrobenzylidene)cyclopentanone, 2-[(4-nitrophenyl)methylidene]cyclopentan-1-one
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 71496-93-0 |
|---|---|
| SMILES | C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C1 |
| InChIKey | PFSPXVYIKPTEGN-UHFFFAOYSA-N |
Product Overview
2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one (CAS 71496-93-0), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]cyclopentan-1-one.
Chemical Property Profile of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one
Property Insights of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one has 0 hydrogen bond donor(s) and 3 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-[(4-Nitrophenyl)methylidene]cyclopentan-1-one?
The CAS number of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one is 71496-93-0.
What is the molecular formula of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one?
The molecular formula of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one is C12H11NO3.
What is the molecular weight of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one?
The molecular weight of 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one is 217.07 g/mol.
Where can I buy 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one?
You can request a quote for 2-[(4-Nitrophenyl)methylidene]cyclopentan-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-[(4-Nitrophenyl)methylidene]cyclopentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)methylidene]cyclopentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.