2,3-Bis(4-nitrophenylamino)-4-cyclopentenone
TL;DR: 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone (CAS 71582-05-3) is a chemical compound with molecular formula C17H14N4O5 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(4-nitroanilino)cyclopent-2-en-1-one
Also Known As: 2,3-bis(4-nitrophenylamino)-4-cyclopentenone, 4,5-bis(4-nitroanilino)cyclopent-2-en-1-one, 4,5-bis[(4-nitrophenyl)amino]-2-cyclopenten-1-one
| Molecular Formula | C17H14N4O5 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 2.9031 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.0964 |
| Heavy Atoms | 26 |
| Complexity | 877.0312 |
Chemical Identifiers
| CAS Number | 71582-05-3 |
|---|---|
| SMILES | C1=CC(=O)C(C1NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2,3-Bis(4-nitrophenylamino)-4-cyclopentenone (CAS 71582-05-3), with molecular formula C17H14N4O5 and molecular weight 354.10 g/mol. IUPAC: 4,5-bis(4-nitroanilino)cyclopent-2-en-1-one.
Chemical Property Profile of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone
Property Insights of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone
The XLogP value of 2.9031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone. The TPSA of 127.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone. Following Lipinski's Rule of Five, 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone has 2 hydrogen bond donor(s) and 7 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 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone?
The CAS number of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone is 71582-05-3.
What is the molecular formula of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone?
The molecular formula of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone is C17H14N4O5.
What is the molecular weight of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone?
The molecular weight of 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone is 354.10 g/mol.
Where can I buy 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone?
You can request a quote for 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(4-nitrophenylamino)-4-cyclopentenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.