(1-Methyl-2-propynyl)benzene
TL;DR: (1-Methyl-2-propynyl)benzene (CAS 4544-28-9) is a chemical compound with molecular formula C10H10 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-yn-2-ylbenzene
Also Known As: but-3-yn-2-ylbenzene, 3-phenylbutine, 3-Phenyl-1-butyne, (but-3-yn-2-yl)benzene, (1-Methyl-2-propynyl)benzene
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 4544-28-9 |
|---|---|
| SMILES | CC(C#C)C1=CC=CC=C1 |
| InChIKey | PMZSDQGYELHPDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Methyl-2-propynyl)benzene (CAS 4544-28-9), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: but-3-yn-2-ylbenzene.
Chemical Property Profile of (1-Methyl-2-propynyl)benzene
Property Insights of (1-Methyl-2-propynyl)benzene
The XLogP value of 3.4 indicates that (1-Methyl-2-propynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1-Methyl-2-propynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methyl-2-propynyl)benzene 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 (1-Methyl-2-propynyl)benzene?
The CAS number of (1-Methyl-2-propynyl)benzene is 4544-28-9.
What is the molecular formula of (1-Methyl-2-propynyl)benzene?
The molecular formula of (1-Methyl-2-propynyl)benzene is C10H10.
What is the molecular weight of (1-Methyl-2-propynyl)benzene?
The molecular weight of (1-Methyl-2-propynyl)benzene is 130.08 g/mol.
Where can I buy (1-Methyl-2-propynyl)benzene?
You can request a quote for (1-Methyl-2-propynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methyl-2-propynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-2-propynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.