1-Butyn-3-yl radical
TL;DR: 1-Butyn-3-yl radical (CAS 3315-42-2) is a chemical compound with molecular formula C4H5 and molecular weight 53.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 1-Butyn-3-yl radical, CH.equiv.CCHCH3, buta-1,2-diene, buta-1,2-dien-1-yl, but-1-yn-3-yl
| Molecular Formula | C4H5 |
|---|---|
| Molecular Weight | 53.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 53.039124 |
| Heavy Atoms | 4 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 3315-42-2 |
|---|---|
| SMILES | C[CH]C#C |
| InChIKey | ULVFVBQUCTUAPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyn-3-yl radical (CAS 3315-42-2), with molecular formula C4H5 and molecular weight 53.04 g/mol.
Chemical Property Profile of 1-Butyn-3-yl radical
Property Insights of 1-Butyn-3-yl radical
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyn-3-yl radical. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butyn-3-yl radical exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyn-3-yl radical 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-Butyn-3-yl radical?
The CAS number of 1-Butyn-3-yl radical is 3315-42-2.
What is the molecular formula of 1-Butyn-3-yl radical?
The molecular formula of 1-Butyn-3-yl radical is C4H5.
What is the molecular weight of 1-Butyn-3-yl radical?
The molecular weight of 1-Butyn-3-yl radical is 53.04 g/mol.
Where can I buy 1-Butyn-3-yl radical?
You can request a quote for 1-Butyn-3-yl radical directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyn-3-yl radical?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyn-3-yl radical and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.