2-(2-Buten-1-yl)-1,3,5-trimethylbenzene
TL;DR: 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene (CAS 63435-25-6) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-2-enyl-1,3,5-trimethylbenzene
Also Known As: 2-but-2-enyl-1,3,5-trimethylbenzene, Benzene,2-(2-butenyl)-1,3,5-trimethyl, 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene, Benzene, 2-(2-butenyl)-1,3,5-trimethyl-, 2-(BUT-2-EN-1-YL)-1,3,5-TRIMETHYLBENZENE
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 63435-25-6 |
|---|---|
| SMILES | CC=CCC1=C(C=C(C=C1C)C)C |
| InChIKey | IEEFGVBHKUHLGZ-UHFFFAOYSA-N |
Product Overview
2-(2-Buten-1-yl)-1,3,5-trimethylbenzene (CAS 63435-25-6), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 2-but-2-enyl-1,3,5-trimethylbenzene.
Chemical Property Profile of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene
Property Insights of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene
The XLogP value of 4.3 indicates that 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene 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 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene?
The CAS number of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene is 63435-25-6.
What is the molecular formula of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene?
The molecular formula of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene is C13H18.
What is the molecular weight of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene?
The molecular weight of 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene is 174.14 g/mol.
Where can I buy 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene?
You can request a quote for 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Buten-1-yl)-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.