1-(4-Aminophenyl)-1-pentanone
TL;DR: 1-(4-Aminophenyl)-1-pentanone (CAS 5398-14-1) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)pentan-1-one
Also Known As: p-Amino valerophenone, 1-Pentanone, 1-(4-aminophenyl)-, 4-Aminopentanoylphenone, 4-aminovalerylphenone, 1-(4-aminophenyl)pentan-1-one
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5398-14-1 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=C(C=C1)N |
| InChIKey | ODSCUBSJIFLFPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Aminophenyl)-1-pentanone (CAS 5398-14-1), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 1-(4-aminophenyl)pentan-1-one.
Chemical Property Profile of 1-(4-Aminophenyl)-1-pentanone
Property Insights of 1-(4-Aminophenyl)-1-pentanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Aminophenyl)-1-pentanone. With a topological polar surface area (TPSA) of 43.1 Ų, 1-(4-Aminophenyl)-1-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminophenyl)-1-pentanone 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 1-(4-Aminophenyl)-1-pentanone?
The CAS number of 1-(4-Aminophenyl)-1-pentanone is 5398-14-1.
What is the molecular formula of 1-(4-Aminophenyl)-1-pentanone?
The molecular formula of 1-(4-Aminophenyl)-1-pentanone is C11H15NO.
What is the molecular weight of 1-(4-Aminophenyl)-1-pentanone?
The molecular weight of 1-(4-Aminophenyl)-1-pentanone is 177.12 g/mol.
Where can I buy 1-(4-Aminophenyl)-1-pentanone?
You can request a quote for 1-(4-Aminophenyl)-1-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenyl)-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenyl)-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.