1,3-Diphenylbuta-1,2-diene
TL;DR: 1,3-Diphenylbuta-1,2-diene (CAS 53544-89-1) is a chemical compound with molecular formula C16H14 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbuta-1,2-dienylbenzene
Also Known As: 1,3-Diphenylbuta-1,2-diene, 3-phenylbuta-1,2-dienylbenzene, 1,3-Diphenyl-1-methylallene, 1-Methyl-1,3-diphenylallene, 1,3-Diphenyl-1,2-butadiene
| Molecular Formula | C16H14 |
|---|---|
| Molecular Weight | 206.11 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 | 206.10954 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 53544-89-1 |
|---|---|
| SMILES | CC(=C=CC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | MQXXNCCKIMJYBQ-UHFFFAOYSA-N |
Product Overview
1,3-Diphenylbuta-1,2-diene (CAS 53544-89-1), with molecular formula C16H14 and molecular weight 206.11 g/mol. IUPAC: 3-phenylbuta-1,2-dienylbenzene.
Chemical Property Profile of 1,3-Diphenylbuta-1,2-diene
Property Insights of 1,3-Diphenylbuta-1,2-diene
The XLogP value of 4.4 indicates that 1,3-Diphenylbuta-1,2-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Diphenylbuta-1,2-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diphenylbuta-1,2-diene 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 1,3-Diphenylbuta-1,2-diene?
The CAS number of 1,3-Diphenylbuta-1,2-diene is 53544-89-1.
What is the molecular formula of 1,3-Diphenylbuta-1,2-diene?
The molecular formula of 1,3-Diphenylbuta-1,2-diene is C16H14.
What is the molecular weight of 1,3-Diphenylbuta-1,2-diene?
The molecular weight of 1,3-Diphenylbuta-1,2-diene is 206.11 g/mol.
Where can I buy 1,3-Diphenylbuta-1,2-diene?
You can request a quote for 1,3-Diphenylbuta-1,2-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diphenylbuta-1,2-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diphenylbuta-1,2-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.