4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one
TL;DR: 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one (CAS 71582-08-6) is a chemical compound with molecular formula C17H12Cl4N2O and molecular weight 399.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(2,5-dichloroanilino)cyclopent-2-en-1-one
Also Known As: 4,5-bis(2,5-dichloroanilino)cyclopent-2-en-1-one
| Molecular Formula | C17H12Cl4N2O |
|---|---|
| Molecular Weight | 399.97 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.97037 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 71582-08-6 |
|---|---|
| SMILES | C1=CC(=O)C(C1NC2=C(C=CC(=C2)Cl)Cl)NC3=C(C=CC(=C3)Cl)Cl |
| InChIKey | SJHJEAOAZFEZDI-UHFFFAOYSA-N |
Product Overview
4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one (CAS 71582-08-6), with molecular formula C17H12Cl4N2O and molecular weight 399.97 g/mol. IUPAC: 4,5-bis(2,5-dichloroanilino)cyclopent-2-en-1-one.
Chemical Property Profile of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one
Property Insights of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one
The XLogP value of 6.1 indicates that 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one?
The CAS number of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one is 71582-08-6.
What is the molecular formula of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one?
The molecular formula of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one is C17H12Cl4N2O.
What is the molecular weight of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one?
The molecular weight of 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one is 399.97 g/mol.
Where can I buy 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one?
You can request a quote for 4,5-Bis(2,5-dichloroanilino)cyclopent-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 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(2,5-dichloroanilino)cyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.