4-Amino-3-phenylbut-3-en-2-one
TL;DR: 4-Amino-3-phenylbut-3-en-2-one (CAS 1706-31-6) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-phenylbut-3-en-2-one
Also Known As: 4-amino-3-phenyl-but-3-en-2-one, 4-amino-3-phenylbut-3-en-2-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.5752 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 300.87442 |
Chemical Identifiers
| CAS Number | 1706-31-6 |
|---|---|
| SMILES | CC(=O)C(=CN)C1=CC=CC=C1 |
Product Overview
4-Amino-3-phenylbut-3-en-2-one (CAS 1706-31-6), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-amino-3-phenylbut-3-en-2-one.
Chemical Property Profile of 4-Amino-3-phenylbut-3-en-2-one
Property Insights of 4-Amino-3-phenylbut-3-en-2-one
The XLogP value of 1.5752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-phenylbut-3-en-2-one. With a topological polar surface area (TPSA) of 43.09 Ų, 4-Amino-3-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3-phenylbut-3-en-2-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 4-Amino-3-phenylbut-3-en-2-one?
The CAS number of 4-Amino-3-phenylbut-3-en-2-one is 1706-31-6.
What is the molecular formula of 4-Amino-3-phenylbut-3-en-2-one?
The molecular formula of 4-Amino-3-phenylbut-3-en-2-one is C10H11NO.
What is the molecular weight of 4-Amino-3-phenylbut-3-en-2-one?
The molecular weight of 4-Amino-3-phenylbut-3-en-2-one is 161.08 g/mol.
Where can I buy 4-Amino-3-phenylbut-3-en-2-one?
You can request a quote for 4-Amino-3-phenylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-phenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.