Phenyl-t-butylacetylene
TL;DR: Phenyl-t-butylacetylene (CAS 4250-82-2) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbut-1-ynylbenzene
Also Known As: Phenyl-t-butylacetylene, t-butylphenylacetylene, phenyl-tert-butylacetylene, 3,3-dimethylbut-1-ynylbenzene, (tert-butyl)pheylacetylene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 4250-82-2 |
|---|---|
| SMILES | CC(C)(C)C#CC1=CC=CC=C1 |
| InChIKey | FASNPPWZLHQZAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl-t-butylacetylene (CAS 4250-82-2), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 3,3-dimethylbut-1-ynylbenzene.
Chemical Property Profile of Phenyl-t-butylacetylene
Property Insights of Phenyl-t-butylacetylene
The XLogP value of 4.0 indicates that Phenyl-t-butylacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Phenyl-t-butylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-t-butylacetylene 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 Phenyl-t-butylacetylene?
The CAS number of Phenyl-t-butylacetylene is 4250-82-2.
What is the molecular formula of Phenyl-t-butylacetylene?
The molecular formula of Phenyl-t-butylacetylene is C12H14.
What is the molecular weight of Phenyl-t-butylacetylene?
The molecular weight of Phenyl-t-butylacetylene is 158.11 g/mol.
Where can I buy Phenyl-t-butylacetylene?
You can request a quote for Phenyl-t-butylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-t-butylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-t-butylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.