![3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- structure](/static/products/5995/59951-31-4.webp)
3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-
TL;DR: 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- (CAS 59951-31-4) is a chemical compound with molecular formula C8H15NO and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(tert-butylamino)but-3-en-2-one
Also Known As: 4-(tert-butylamino)but-3-en-2-one, 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-, 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- (9CI)
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 1.4772 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 141.82681 |
Chemical Identifiers
| CAS Number | 59951-31-4 |
|---|---|
| SMILES | CC(=O)C=CNC(C)(C)C |
Product Overview
3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- (CAS 59951-31-4), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: 4-(tert-butylamino)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-
Property Insights of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-
The XLogP value of 1.4772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- 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-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-?
The CAS number of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- is 59951-31-4.
What is the molecular formula of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-?
The molecular formula of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- is C8H15NO.
What is the molecular weight of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-?
The molecular weight of 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- is 141.12 g/mol.
Where can I buy 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-?
You can request a quote for 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-[(1,1-dimethylethyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.