But-1-en-3-ynyl-benzene
TL;DR: But-1-en-3-ynyl-benzene (CAS 5622-76-4) is a chemical compound with molecular formula C10H8 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-1-en-3-ynylbenzene
Also Known As: but-1-en-3-ynyl-benzene, but-1-en-3-ynylbenzene, 1-buten-3-ynylbenzene, 1-phenylbut-1-en-3-yne, (but-1-en-3-yn-1-yl)benzene
| Molecular Formula | C10H8 |
|---|---|
| Molecular Weight | 128.06 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 | 128.0626 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 5622-76-4 |
|---|---|
| SMILES | C#CC=CC1=CC=CC=C1 |
| InChIKey | FRSPRPODGOIJPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-1-en-3-ynyl-benzene (CAS 5622-76-4), with molecular formula C10H8 and molecular weight 128.06 g/mol. IUPAC: but-1-en-3-ynylbenzene.
Chemical Property Profile of But-1-en-3-ynyl-benzene
Property Insights of But-1-en-3-ynyl-benzene
The XLogP value of 3.1 indicates that But-1-en-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, But-1-en-3-ynyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-1-en-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 But-1-en-3-ynyl-benzene?
The CAS number of But-1-en-3-ynyl-benzene is 5622-76-4.
What is the molecular formula of But-1-en-3-ynyl-benzene?
The molecular formula of But-1-en-3-ynyl-benzene is C10H8.
What is the molecular weight of But-1-en-3-ynyl-benzene?
The molecular weight of But-1-en-3-ynyl-benzene is 128.06 g/mol.
Where can I buy But-1-en-3-ynyl-benzene?
You can request a quote for But-1-en-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 But-1-en-3-ynyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for But-1-en-3-ynyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.