4-(4-Chloroanilino)pent-3-en-2-one
TL;DR: 4-(4-Chloroanilino)pent-3-en-2-one (CAS 88074-16-2) is a chemical compound with molecular formula C11H12ClNO and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)pent-3-en-2-one
Also Known As: 4-(4-chloroanilino)pent-3-en-2-one, 3-Penten-2-one, 4-[(4-chlorophenyl)amino]-, 3-Penten-2-one, 4-[(4-chlorophenyl)amino]-, (Z)-, 2-Penten-2-ol, 4-[(4-chlorophenyl)imino]-, (Z,E)-
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 3.2447 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 354.0552 |
Chemical Identifiers
| CAS Number | 88074-16-2 |
|---|---|
| SMILES | CC(=CC(=O)C)NC1=CC=C(C=C1)Cl |
Product Overview
4-(4-Chloroanilino)pent-3-en-2-one (CAS 88074-16-2), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 4-(4-chloroanilino)pent-3-en-2-one.
Chemical Property Profile of 4-(4-Chloroanilino)pent-3-en-2-one
Property Insights of 4-(4-Chloroanilino)pent-3-en-2-one
The XLogP value of 3.2447 indicates that 4-(4-Chloroanilino)pent-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(4-Chloroanilino)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloroanilino)pent-3-en-2-one has 1 hydrogen bond donor(s) and 2 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-(4-Chloroanilino)pent-3-en-2-one?
The CAS number of 4-(4-Chloroanilino)pent-3-en-2-one is 88074-16-2.
What is the molecular formula of 4-(4-Chloroanilino)pent-3-en-2-one?
The molecular formula of 4-(4-Chloroanilino)pent-3-en-2-one is C11H12ClNO.
What is the molecular weight of 4-(4-Chloroanilino)pent-3-en-2-one?
The molecular weight of 4-(4-Chloroanilino)pent-3-en-2-one is 209.06 g/mol.
Where can I buy 4-(4-Chloroanilino)pent-3-en-2-one?
You can request a quote for 4-(4-Chloroanilino)pent-3-en-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-(4-Chloroanilino)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloroanilino)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.