3-Phenyl-1,2-butadiene
TL;DR: 3-Phenyl-1,2-butadiene (CAS 22433-39-2) is a chemical compound with molecular formula C10H10 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-2,3-dien-2-ylbenzene
Also Known As: 3-Phenyl-1,2-butadiene, 1-Methyl-1-phenylallene, 1-Phenyl-1-methylallene, 2-Phenyl-2,3-butadiene, 1,2-Butadiene, 3-phenyl-
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 22433-39-2 |
|---|---|
| SMILES | CC(=C=C)C1=CC=CC=C1 |
| InChIKey | IHOYDALOVDQINJ-UHFFFAOYSA-N |
Product Overview
3-Phenyl-1,2-butadiene (CAS 22433-39-2), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: buta-2,3-dien-2-ylbenzene.
Chemical Property Profile of 3-Phenyl-1,2-butadiene
Property Insights of 3-Phenyl-1,2-butadiene
The XLogP value of 3.1 indicates that 3-Phenyl-1,2-butadiene 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-Phenyl-1,2-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1,2-butadiene 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-Phenyl-1,2-butadiene?
The CAS number of 3-Phenyl-1,2-butadiene is 22433-39-2.
What is the molecular formula of 3-Phenyl-1,2-butadiene?
The molecular formula of 3-Phenyl-1,2-butadiene is C10H10.
What is the molecular weight of 3-Phenyl-1,2-butadiene?
The molecular weight of 3-Phenyl-1,2-butadiene is 130.08 g/mol.
Where can I buy 3-Phenyl-1,2-butadiene?
You can request a quote for 3-Phenyl-1,2-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1,2-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1,2-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.