2-Amino-1-(4-fluorophenyl)-1-butanone
TL;DR: 2-Amino-1-(4-fluorophenyl)-1-butanone (CAS 313239-77-9) is a chemical compound with molecular formula C10H12FNO and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-fluorophenyl)butan-1-one
Also Known As: 2-amino-1-(4-fluorophenyl)-1-butanone, 2-amino-1-(4-fluorophenyl)butan-1-one, 1-butanone, 2-amino-1-(4-fluorophenyl)-
| Molecular Formula | C10H12FNO |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.7457 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.09029 |
| Heavy Atoms | 13 |
| Complexity | 294.29797 |
Chemical Identifiers
| CAS Number | 313239-77-9 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=C(C=C1)F)N |
Product Overview
2-Amino-1-(4-fluorophenyl)-1-butanone (CAS 313239-77-9), with molecular formula C10H12FNO and molecular weight 181.09 g/mol. IUPAC: 2-amino-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 2-Amino-1-(4-fluorophenyl)-1-butanone
Property Insights of 2-Amino-1-(4-fluorophenyl)-1-butanone
The XLogP value of 1.7457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-(4-fluorophenyl)-1-butanone. With a topological polar surface area (TPSA) of 43.09 Ų, 2-Amino-1-(4-fluorophenyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-(4-fluorophenyl)-1-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 2-Amino-1-(4-fluorophenyl)-1-butanone?
The CAS number of 2-Amino-1-(4-fluorophenyl)-1-butanone is 313239-77-9.
What is the molecular formula of 2-Amino-1-(4-fluorophenyl)-1-butanone?
The molecular formula of 2-Amino-1-(4-fluorophenyl)-1-butanone is C10H12FNO.
What is the molecular weight of 2-Amino-1-(4-fluorophenyl)-1-butanone?
The molecular weight of 2-Amino-1-(4-fluorophenyl)-1-butanone is 181.09 g/mol.
Where can I buy 2-Amino-1-(4-fluorophenyl)-1-butanone?
You can request a quote for 2-Amino-1-(4-fluorophenyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-(4-fluorophenyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(4-fluorophenyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.