1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene
TL;DR: 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene (CAS 61172-19-8) is a chemical compound with molecular formula C18H16 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(Z)-4-phenylbut-1-en-3-ynyl]benzene
Also Known As: 1,3-dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene, 1,3-dimethyl-5-[(Z)-4-phenylbut-1-en-3-ynyl]benzene, AB-131/42301041
| Molecular Formula | C18H16 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 4.36834 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.1252 |
| Heavy Atoms | 18 |
| Complexity | 587.2268 |
Chemical Identifiers
| CAS Number | 61172-19-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)/C=C\C#CC2=CC=CC=C2)C |
Product Overview
1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene (CAS 61172-19-8), with molecular formula C18H16 and molecular weight 232.13 g/mol. IUPAC: 1,3-dimethyl-5-[(Z)-4-phenylbut-1-en-3-ynyl]benzene.
Chemical Property Profile of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene
Property Insights of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene
The XLogP value of 4.36834 indicates that 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)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, 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)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 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene?
The CAS number of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene is 61172-19-8.
What is the molecular formula of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene?
The molecular formula of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene is C18H16.
What is the molecular weight of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene?
The molecular weight of 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene is 232.13 g/mol.
Where can I buy 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene?
You can request a quote for 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(4-phenyl-1-buten-3-ynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.