Benzene, 1-methyl-4-(1-propynyl)-
TL;DR: Benzene, 1-methyl-4-(1-propynyl)- (CAS 2749-93-1) 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.
1-methyl-4-prop-1-ynylbenzene
Also Known As: Benzene, 1-methyl-4-(1-propynyl)-, 1-methyl-4-prop-1-ynylbenzene, 1-(4-Methylphenyl)propyne, ghl.PD_Mitscher_leg0.392, 1-(p-Tolyl)-1-propyne
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 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 | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2749-93-1 |
|---|---|
| SMILES | CC#CC1=CC=C(C=C1)C |
| InChIKey | NAYOGGQFBZAZIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-4-(1-propynyl)- (CAS 2749-93-1), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: 1-methyl-4-prop-1-ynylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-(1-propynyl)-
Property Insights of Benzene, 1-methyl-4-(1-propynyl)-
The XLogP value of 3.0 indicates that Benzene, 1-methyl-4-(1-propynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-methyl-4-(1-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-(1-propynyl)- 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 Benzene, 1-methyl-4-(1-propynyl)-?
The CAS number of Benzene, 1-methyl-4-(1-propynyl)- is 2749-93-1.
What is the molecular formula of Benzene, 1-methyl-4-(1-propynyl)-?
The molecular formula of Benzene, 1-methyl-4-(1-propynyl)- is C10H10.
What is the molecular weight of Benzene, 1-methyl-4-(1-propynyl)-?
The molecular weight of Benzene, 1-methyl-4-(1-propynyl)- is 130.08 g/mol.
Where can I buy Benzene, 1-methyl-4-(1-propynyl)-?
You can request a quote for Benzene, 1-methyl-4-(1-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-(1-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-(1-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.