2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-
TL;DR: 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- (CAS 51719-72-3) is a chemical compound with molecular formula C7H7N3O and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2H-triazol-4-yl)but-2-yn-1-one
Also Known As: 1H-1,2,3-Triazole, 2-butyn-1-one deriv., 1-(5-methyl-2H-triazol-4-yl)but-2-yn-1-one, 1-(5-Methyl-1H-1,2,3-triazol-4-yl)-2-butyn-1-one, 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-, 1-(5-methyl-1H-1,2,3-triazol-4-yl)but-2-yn-1-one
| Molecular Formula | C7H7N3O |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.05891 |
| Heavy Atoms | 11 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 51719-72-3 |
|---|---|
| SMILES | CC#CC(=O)C1=NNN=C1C |
| InChIKey | XGDALKCXHOTDFO-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- (CAS 51719-72-3), with molecular formula C7H7N3O and molecular weight 149.06 g/mol. IUPAC: 1-(5-methyl-2H-triazol-4-yl)but-2-yn-1-one.
Chemical Property Profile of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-
Property Insights of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- has 1 hydrogen bond donor(s) and 3 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 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-?
The CAS number of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- is 51719-72-3.
What is the molecular formula of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-?
The molecular formula of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- is C7H7N3O.
What is the molecular weight of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-?
The molecular weight of 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- is 149.06 g/mol.
Where can I buy 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-?
You can request a quote for 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-one, 1-(5-methyl-1H-1,2,3-triazol-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.