Methylphenylacetylene
TL;DR: Methylphenylacetylene (CAS 673-32-5) is a chemical compound with molecular formula C9H8 and molecular weight 116.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-1-ynylbenzene
Also Known As: 1-Phenyl-1-propyne, Prop-1-yn-1-ylbenzene, Prop-1-ynylbenzene, phenylpropyne, Methylphenylacetylene
| Molecular Formula | C9H8 |
|---|---|
| Molecular Weight | 116.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.0626 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 673-32-5 |
|---|---|
| SMILES | CC#CC1=CC=CC=C1 |
| InChIKey | GHUURDQYRGVEHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylphenylacetylene (CAS 673-32-5), with molecular formula C9H8 and molecular weight 116.06 g/mol. IUPAC: prop-1-ynylbenzene.
Chemical Property Profile of Methylphenylacetylene
Property Insights of Methylphenylacetylene
The XLogP value of 3.0 indicates that Methylphenylacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Methylphenylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylphenylacetylene has 0 hydrogen bond donor(s) and 0 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 Methylphenylacetylene?
The CAS number of Methylphenylacetylene is 673-32-5.
What is the molecular formula of Methylphenylacetylene?
The molecular formula of Methylphenylacetylene is C9H8.
What is the molecular weight of Methylphenylacetylene?
The molecular weight of Methylphenylacetylene is 116.06 g/mol.
Where can I buy Methylphenylacetylene?
You can request a quote for Methylphenylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylphenylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Methylphenylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.