4-(Benzylamino)but-3-en-2-one
TL;DR: 4-(Benzylamino)but-3-en-2-one (CAS 53133-41-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)but-3-en-2-one
Also Known As: 4-(benzylamino)but-3-en-2-one, 4-(benzylamino) but-3-en-2-one, 1-Buten-3-one, 1-(benzylamino)-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 53133-41-8 |
|---|---|
| SMILES | CC(=O)C=CNCC1=CC=CC=C1 |
| InChIKey | CQWWYPKMJPSBJK-UHFFFAOYSA-N |
Product Overview
4-(Benzylamino)but-3-en-2-one (CAS 53133-41-8), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-(benzylamino)but-3-en-2-one.
Chemical Property Profile of 4-(Benzylamino)but-3-en-2-one
Property Insights of 4-(Benzylamino)but-3-en-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylamino)but-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(Benzylamino)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylamino)but-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-(Benzylamino)but-3-en-2-one?
The CAS number of 4-(Benzylamino)but-3-en-2-one is 53133-41-8.
What is the molecular formula of 4-(Benzylamino)but-3-en-2-one?
The molecular formula of 4-(Benzylamino)but-3-en-2-one is C11H13NO.
What is the molecular weight of 4-(Benzylamino)but-3-en-2-one?
The molecular weight of 4-(Benzylamino)but-3-en-2-one is 175.10 g/mol.
Where can I buy 4-(Benzylamino)but-3-en-2-one?
You can request a quote for 4-(Benzylamino)but-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-(Benzylamino)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylamino)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.