(1,2,3-Trimethylbut-3-enyl)benzene
TL;DR: (1,2,3-Trimethylbut-3-enyl)benzene (CAS 85895-82-5) 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.
3,4-dimethylpent-4-en-2-ylbenzene
Also Known As: benzene, (1,2,3-Trimethylbut-3-enyl)benzene, EINECS 288-757-5, 3,4-dimethylpent-4-en-2-ylbenzene, (1,2,3-Trimethyl-3-butenyl)benzene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.0023 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 271.3496 |
Chemical Identifiers
| CAS Number | 85895-82-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(C)C(=C)C |
Product Overview
(1,2,3-Trimethylbut-3-enyl)benzene (CAS 85895-82-5), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 3,4-dimethylpent-4-en-2-ylbenzene.
Chemical Property Profile of (1,2,3-Trimethylbut-3-enyl)benzene
Property Insights of (1,2,3-Trimethylbut-3-enyl)benzene
The XLogP value of 4.0023 indicates that (1,2,3-Trimethylbut-3-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1,2,3-Trimethylbut-3-enyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,3-Trimethylbut-3-enyl)benzene 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 (1,2,3-Trimethylbut-3-enyl)benzene?
The CAS number of (1,2,3-Trimethylbut-3-enyl)benzene is 85895-82-5.
What is the molecular formula of (1,2,3-Trimethylbut-3-enyl)benzene?
The molecular formula of (1,2,3-Trimethylbut-3-enyl)benzene is C13H18.
What is the molecular weight of (1,2,3-Trimethylbut-3-enyl)benzene?
The molecular weight of (1,2,3-Trimethylbut-3-enyl)benzene is 174.14 g/mol.
Where can I buy (1,2,3-Trimethylbut-3-enyl)benzene?
You can request a quote for (1,2,3-Trimethylbut-3-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,3-Trimethylbut-3-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,2,3-Trimethylbut-3-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.