4-乙基叔丁苯
TL;DR: 4-乙基叔丁苯 (CAS 7364-19-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基叔丁苯
1-tert-butyl-4-ethylbenzene
Also Known As: 1-tert-Butyl-4-ethylbenzene, p-tert-Butylethylbenzene, 1-t-Butyl-4-ethylbenzene, tert-Butylethylbenzene, Xylometazoline Impurity 9
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 7364-19-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | OYBFKZHDPTTWGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基叔丁苯 (CAS 7364-19-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1-tert-butyl-4-ethylbenzene.
Chemical Property Profile of 4-乙基叔丁苯
Property Insights of 4-乙基叔丁苯
The XLogP value of 4.4 indicates that 4-乙基叔丁苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-乙基叔丁苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基叔丁苯 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 4-乙基叔丁苯?
The CAS number of 4-乙基叔丁苯 is 7364-19-4.
What is the molecular formula of 4-乙基叔丁苯?
The molecular formula of 4-乙基叔丁苯 is C12H18.
What is the molecular weight of 4-乙基叔丁苯?
The molecular weight of 4-乙基叔丁苯 is 162.14 g/mol.
Where can I buy 4-乙基叔丁苯?
You can request a quote for 4-乙基叔丁苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基叔丁苯?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基叔丁苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.