3-Amino-4-phenyl-2-butanone
TL;DR: 3-Amino-4-phenyl-2-butanone (CAS 5440-27-7) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-phenylbutan-2-one
Also Known As: 3-amino-4-phenylbutan-2-one, PHENYLALANYLMETHANE, 3-Amino-4-phenyl-2-butanone, 3-Amino-4-phenyl-2-butanon, 2-Butanone, 3-amino-4-phenyl-
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 5440-27-7 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=CC=C1)N |
| InChIKey | RTUDQBPZFFIRAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-phenyl-2-butanone (CAS 5440-27-7), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3-amino-4-phenylbutan-2-one.
Chemical Property Profile of 3-Amino-4-phenyl-2-butanone
Property Insights of 3-Amino-4-phenyl-2-butanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-phenyl-2-butanone. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-4-phenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-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 3-Amino-4-phenyl-2-butanone?
The CAS number of 3-Amino-4-phenyl-2-butanone is 5440-27-7.
What is the molecular formula of 3-Amino-4-phenyl-2-butanone?
The molecular formula of 3-Amino-4-phenyl-2-butanone is C10H13NO.
What is the molecular weight of 3-Amino-4-phenyl-2-butanone?
The molecular weight of 3-Amino-4-phenyl-2-butanone is 163.10 g/mol.
Where can I buy 3-Amino-4-phenyl-2-butanone?
You can request a quote for 3-Amino-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 3-Amino-4-phenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-phenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.