(Z)-4-tert-Butylamino-but-3-en-2-one
TL;DR: (Z)-4-tert-Butylamino-but-3-en-2-one (CAS 50874-64-1) 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.
(Z)-4-(tert-butylamino)but-3-en-2-one
Also Known As: 1-tert.-Butylamino-1-buten-3-on, 4-(tert-butylamino)but-3-en-2-one, (Z)-4-(tert-butylamino)but-3-en-2-one, (Z)-4-tert-Butylamino-but-3-en-2-one
| 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 | 50874-64-1 |
|---|---|
| SMILES | CC(=O)/C=C\NC(C)(C)C |
Product Overview
(Z)-4-tert-Butylamino-but-3-en-2-one (CAS 50874-64-1), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: (Z)-4-(tert-butylamino)but-3-en-2-one.
Chemical Property Profile of (Z)-4-tert-Butylamino-but-3-en-2-one
Property Insights of (Z)-4-tert-Butylamino-but-3-en-2-one
The XLogP value of 1.4772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-tert-Butylamino-but-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, (Z)-4-tert-Butylamino-but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-tert-Butylamino-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 (Z)-4-tert-Butylamino-but-3-en-2-one?
The CAS number of (Z)-4-tert-Butylamino-but-3-en-2-one is 50874-64-1.
What is the molecular formula of (Z)-4-tert-Butylamino-but-3-en-2-one?
The molecular formula of (Z)-4-tert-Butylamino-but-3-en-2-one is C8H15NO.
What is the molecular weight of (Z)-4-tert-Butylamino-but-3-en-2-one?
The molecular weight of (Z)-4-tert-Butylamino-but-3-en-2-one is 141.12 g/mol.
Where can I buy (Z)-4-tert-Butylamino-but-3-en-2-one?
You can request a quote for (Z)-4-tert-Butylamino-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 (Z)-4-tert-Butylamino-but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-tert-Butylamino-but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.