4-(Trimethylsilyl)-3-butyn-2-one
TL;DR: 4-(Trimethylsilyl)-3-butyn-2-one (CAS 5930-98-3) is a chemical compound with molecular formula C7H12OSi and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-trimethylsilylbut-3-yn-2-one
Also Known As: 4-(Trimethylsilyl)-3-butyn-2-one, 4-trimethylsilylbut-3-yn-2-one, null, TMSB compound, 4-(trimethylsilyl)but-3-yn-2-one
| Molecular Formula | C7H12OSi |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | 1.4562 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.06573 |
| Heavy Atoms | 9 |
| Complexity | 165.58073 |
Chemical Identifiers
| CAS Number | 5930-98-3 |
|---|---|
| SMILES | CC(=O)C#C[Si](C)(C)C |
Product Overview
4-(Trimethylsilyl)-3-butyn-2-one (CAS 5930-98-3), with molecular formula C7H12OSi and molecular weight 140.07 g/mol. IUPAC: 4-trimethylsilylbut-3-yn-2-one.
Chemical Property Profile of 4-(Trimethylsilyl)-3-butyn-2-one
Property Insights of 4-(Trimethylsilyl)-3-butyn-2-one
The XLogP value of 1.4562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trimethylsilyl)-3-butyn-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(Trimethylsilyl)-3-butyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trimethylsilyl)-3-butyn-2-one has 0 hydrogen bond donor(s) and 1 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-(Trimethylsilyl)-3-butyn-2-one?
The CAS number of 4-(Trimethylsilyl)-3-butyn-2-one is 5930-98-3.
What is the molecular formula of 4-(Trimethylsilyl)-3-butyn-2-one?
The molecular formula of 4-(Trimethylsilyl)-3-butyn-2-one is C7H12OSi.
What is the molecular weight of 4-(Trimethylsilyl)-3-butyn-2-one?
The molecular weight of 4-(Trimethylsilyl)-3-butyn-2-one is 140.07 g/mol.
Where can I buy 4-(Trimethylsilyl)-3-butyn-2-one?
You can request a quote for 4-(Trimethylsilyl)-3-butyn-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-(Trimethylsilyl)-3-butyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trimethylsilyl)-3-butyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.