4-Anilino-4-phenyl-2-butanone
TL;DR: 4-Anilino-4-phenyl-2-butanone (CAS 728-99-4) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-4-phenylbutan-2-one
Also Known As: 4-anilino-4-phenylbutan-2-one, 4-Anilino-4-phenyl-2-butanone, 2-Butanone, 4-phenyl-4-(phenylamino)-, 4-Phenyl-4-anilino-2-butanone, 4-(Phenylamino)-4-phenyl-2-butanone
| Molecular Formula | C16H17NO |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 3.8189 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.13101 |
| Heavy Atoms | 18 |
| Complexity | 493.0201 |
Chemical Identifiers
| CAS Number | 728-99-4 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)NC2=CC=CC=C2 |
Product Overview
4-Anilino-4-phenyl-2-butanone (CAS 728-99-4), with molecular formula C16H17NO and molecular weight 239.13 g/mol. IUPAC: 4-anilino-4-phenylbutan-2-one.
Chemical Property Profile of 4-Anilino-4-phenyl-2-butanone
Property Insights of 4-Anilino-4-phenyl-2-butanone
The XLogP value of 3.8189 indicates that 4-Anilino-4-phenyl-2-butanone 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-Anilino-4-phenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-4-phenyl-2-butanone 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-Anilino-4-phenyl-2-butanone?
The CAS number of 4-Anilino-4-phenyl-2-butanone is 728-99-4.
What is the molecular formula of 4-Anilino-4-phenyl-2-butanone?
The molecular formula of 4-Anilino-4-phenyl-2-butanone is C16H17NO.
What is the molecular weight of 4-Anilino-4-phenyl-2-butanone?
The molecular weight of 4-Anilino-4-phenyl-2-butanone is 239.13 g/mol.
Where can I buy 4-Anilino-4-phenyl-2-butanone?
You can request a quote for 4-Anilino-4-phenyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-4-phenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-4-phenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.