1,3-Butadienylbenzene
TL;DR: 1,3-Butadienylbenzene (CAS 30733-89-2) is a chemical compound with molecular formula C=CC=CC1=CC=CC=C1 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-dienylbenzene
Also Known As: vinyl styrene, 1-Phenylbutadiene, Butadiene, phenyl-, 1-Phenyl-1,3-butadiene, 1,3-Butadienylbenzene
| Molecular Formula | C=CC=CC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 30733-89-2 |
|---|---|
| SMILES | C=CC=CC1=CC=CC=C1 |
| InChIKey | XZKRXPZXQLARHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butadienylbenzene (CAS 30733-89-2), with molecular formula C=CC=CC1=CC=CC=C1 and molecular weight 130.08 g/mol. IUPAC: buta-1,3-dienylbenzene.
Chemical Property Profile of 1,3-Butadienylbenzene
Property Insights of 1,3-Butadienylbenzene
The XLogP value of 3.6 indicates that 1,3-Butadienylbenzene 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-Butadienylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadienylbenzene 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-Butadienylbenzene?
The CAS number of 1,3-Butadienylbenzene is 30733-89-2.
What is the molecular formula of 1,3-Butadienylbenzene?
The molecular formula of 1,3-Butadienylbenzene is C=CC=CC1=CC=CC=C1.
What is the molecular weight of 1,3-Butadienylbenzene?
The molecular weight of 1,3-Butadienylbenzene is 130.08 g/mol.
Where can I buy 1,3-Butadienylbenzene?
You can request a quote for 1,3-Butadienylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadienylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadienylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.