4-Phenylbut-3-ene-1-yne
TL;DR: 4-Phenylbut-3-ene-1-yne (CAS 935-01-3) 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.
[(E)-but-1-en-3-ynyl]benzene
Also Known As: 1-buten-3-ynylbenzene, (but-1-en-3-yn-1-yl)benzene, 4-Phenylbut-3-ene-1-yne, ( -BENZENE, 1-phenylbut-1-en-3-yne
| 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 | 935-01-3 |
|---|---|
| SMILES | C#C/C=C/C1=CC=CC=C1 |
| InChIKey | FRSPRPODGOIJPJ-XVNBXDOJSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylbut-3-ene-1-yne (CAS 935-01-3), with molecular formula C10H8 and molecular weight 128.06 g/mol. IUPAC: [(E)-but-1-en-3-ynyl]benzene.
Chemical Property Profile of 4-Phenylbut-3-ene-1-yne
Property Insights of 4-Phenylbut-3-ene-1-yne
The XLogP value of 3.1 indicates that 4-Phenylbut-3-ene-1-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Phenylbut-3-ene-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylbut-3-ene-1-yne 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 4-Phenylbut-3-ene-1-yne?
The CAS number of 4-Phenylbut-3-ene-1-yne is 935-01-3.
What is the molecular formula of 4-Phenylbut-3-ene-1-yne?
The molecular formula of 4-Phenylbut-3-ene-1-yne is C10H8.
What is the molecular weight of 4-Phenylbut-3-ene-1-yne?
The molecular weight of 4-Phenylbut-3-ene-1-yne is 128.06 g/mol.
Where can I buy 4-Phenylbut-3-ene-1-yne?
You can request a quote for 4-Phenylbut-3-ene-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbut-3-ene-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbut-3-ene-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.