3-(4-tert-Butylphenyl)-1-propene
TL;DR: 3-(4-tert-Butylphenyl)-1-propene (CAS 27798-45-4) 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.
1-tert-butyl-4-prop-2-enylbenzene
Also Known As: 3-(4-tert-Butylphenyl)-1-propene, 4-Cyanobenzylamine, 1-Allyl-4-tert-butylbenzene, 1-Allyl-4-(tert-butyl)benzene, 1-tert-butyl-4-prop-2-enylbenzene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 3.7126 |
| 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 | 271.90176 |
Chemical Identifiers
| CAS Number | 27798-45-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CC=C |
Product Overview
3-(4-tert-Butylphenyl)-1-propene (CAS 27798-45-4), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 1-tert-butyl-4-prop-2-enylbenzene.
Chemical Property Profile of 3-(4-tert-Butylphenyl)-1-propene
Property Insights of 3-(4-tert-Butylphenyl)-1-propene
The XLogP value of 3.7126 indicates that 3-(4-tert-Butylphenyl)-1-propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(4-tert-Butylphenyl)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-Butylphenyl)-1-propene 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 3-(4-tert-Butylphenyl)-1-propene?
The CAS number of 3-(4-tert-Butylphenyl)-1-propene is 27798-45-4.
What is the molecular formula of 3-(4-tert-Butylphenyl)-1-propene?
The molecular formula of 3-(4-tert-Butylphenyl)-1-propene is C13H18.
What is the molecular weight of 3-(4-tert-Butylphenyl)-1-propene?
The molecular weight of 3-(4-tert-Butylphenyl)-1-propene is 174.14 g/mol.
Where can I buy 3-(4-tert-Butylphenyl)-1-propene?
You can request a quote for 3-(4-tert-Butylphenyl)-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-Butylphenyl)-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-Butylphenyl)-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.