![3-Penten-2-one, 4-[(3-chlorophenyl)amino]- structure](/static/products/944/94418-01-6.png)
3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
TL;DR: 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- (CAS 94418-01-6) 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-(3-chloroanilino)pent-3-en-2-one
Also Known As: 4-(3-chloroanilino)pent-3-en-2-one, 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
| 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 | 371.3052 |
Chemical Identifiers
| CAS Number | 94418-01-6 |
|---|---|
| SMILES | CC(=CC(=O)C)NC1=CC(=CC=C1)Cl |
Product Overview
3-Penten-2-one, 4-[(3-chlorophenyl)amino]- (CAS 94418-01-6), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 4-(3-chloroanilino)pent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
Property Insights of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
The XLogP value of 3.2447 indicates that 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- 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 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-?
The CAS number of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- is 94418-01-6.
What is the molecular formula of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-?
The molecular formula of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- is C11H12ClNO.
What is the molecular weight of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-?
The molecular weight of 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- is 209.06 g/mol.
Where can I buy 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-?
You can request a quote for 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 4-[(3-chlorophenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.