Isovalerylphenylacetylene
TL;DR: Isovalerylphenylacetylene (CAS 23566-47-4) is a chemical compound with molecular formula C13H14O and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-phenylhex-1-yn-3-one
Also Known As: Isovalerylphenylacetylene, 5-methyl-1-phenylhex-1-yn-3-one, Phenyl-isovaleryl-acetylen, 1-Phenyl-5-methyl-1-hexyne-3-one, 5-Methyl-1-phenyl-1-hexyne-3-one
| Molecular Formula | C13H14O |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.10446 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 23566-47-4 |
|---|---|
| SMILES | CC(C)CC(=O)C#CC1=CC=CC=C1 |
| InChIKey | YSNUZHGXXPVDOQ-UHFFFAOYSA-N |
Product Overview
Isovalerylphenylacetylene (CAS 23566-47-4), with molecular formula C13H14O and molecular weight 186.10 g/mol. IUPAC: 5-methyl-1-phenylhex-1-yn-3-one.
Chemical Property Profile of Isovalerylphenylacetylene
Property Insights of Isovalerylphenylacetylene
The XLogP value of 3.5 indicates that Isovalerylphenylacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Isovalerylphenylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovalerylphenylacetylene 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 Isovalerylphenylacetylene?
The CAS number of Isovalerylphenylacetylene is 23566-47-4.
What is the molecular formula of Isovalerylphenylacetylene?
The molecular formula of Isovalerylphenylacetylene is C13H14O.
What is the molecular weight of Isovalerylphenylacetylene?
The molecular weight of Isovalerylphenylacetylene is 186.10 g/mol.
Where can I buy Isovalerylphenylacetylene?
You can request a quote for Isovalerylphenylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovalerylphenylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Isovalerylphenylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.