Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
TL;DR: Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- (CAS 48144-15-6) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-prop-2-ynoxybenzene
Also Known As: 1-tert-butyl-4-(prop-2-yn-1-yloxy)benzene, 1-tert-butyl-4-prop-2-ynoxybenzene, 4-tert-Butylphenyl propargyl ether, 1-prop-2-ynoxy-4-tert-butyl-benzene, Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 48144-15-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC#C |
| InChIKey | LCKMFILTJDWOQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- (CAS 48144-15-6), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 1-tert-butyl-4-prop-2-ynoxybenzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
Property Insights of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
The XLogP value of 3.7 indicates that Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- 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 Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-?
The CAS number of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- is 48144-15-6.
What is the molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-?
The molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- is C13H16O.
What is the molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-?
The molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- is 188.12 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-?
You can request a quote for Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.