4-(3-Fluoroanilino)pent-3-en-2-one
TL;DR: 4-(3-Fluoroanilino)pent-3-en-2-one (CAS 1978-62-7) is a chemical compound with molecular formula C11H12FNO and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-fluoroanilino)pent-3-en-2-one
Also Known As: 4-(3-fluoroanilino)pent-3-en-2-one, 4-(3-fluoro-anilino)-pent-3-en-2-one
| Molecular Formula | C11H12FNO |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.7304 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.09029 |
| Heavy Atoms | 14 |
| Complexity | 371.3052 |
Chemical Identifiers
| CAS Number | 1978-62-7 |
|---|---|
| SMILES | CC(=CC(=O)C)NC1=CC(=CC=C1)F |
Product Overview
4-(3-Fluoroanilino)pent-3-en-2-one (CAS 1978-62-7), with molecular formula C11H12FNO and molecular weight 193.09 g/mol. IUPAC: 4-(3-fluoroanilino)pent-3-en-2-one.
Chemical Property Profile of 4-(3-Fluoroanilino)pent-3-en-2-one
Property Insights of 4-(3-Fluoroanilino)pent-3-en-2-one
The XLogP value of 2.7304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Fluoroanilino)pent-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(3-Fluoroanilino)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Fluoroanilino)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-(3-Fluoroanilino)pent-3-en-2-one?
The CAS number of 4-(3-Fluoroanilino)pent-3-en-2-one is 1978-62-7.
What is the molecular formula of 4-(3-Fluoroanilino)pent-3-en-2-one?
The molecular formula of 4-(3-Fluoroanilino)pent-3-en-2-one is C11H12FNO.
What is the molecular weight of 4-(3-Fluoroanilino)pent-3-en-2-one?
The molecular weight of 4-(3-Fluoroanilino)pent-3-en-2-one is 193.09 g/mol.
Where can I buy 4-(3-Fluoroanilino)pent-3-en-2-one?
You can request a quote for 4-(3-Fluoroanilino)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-(3-Fluoroanilino)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Fluoroanilino)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.