3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
TL;DR: 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (CAS 52939-90-9) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
Also Known As: 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one, 3-Amino-3-(4-methylphenyl)-1-phenyl-2-propen-1-one
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 52939-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)N |
| InChIKey | PIIXWKIYIRGSFA-UHFFFAOYSA-N |
Product Overview
3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (CAS 52939-90-9), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
Property Insights of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
The XLogP value of 3.7 indicates that 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-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 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The CAS number of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is 52939-90-9.
What is the molecular formula of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The molecular formula of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is C16H15NO.
What is the molecular weight of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The molecular weight of 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is 237.12 g/mol.
Where can I buy 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
You can request a quote for 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.