Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-
TL;DR: Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- (CAS 15496-08-9) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylbut-3-yn-2-yloxy)propanenitrile
Also Known As: Tmse-ggg, 3-Methyl-3-(2-cyanoethoxy)-1-butyne, 3-(2-methylbut-3-yn-2-yloxy)propanenitrile, 3-[(2-methylbut-3-yn-2-yl)oxy]propanenitrile, Propanenitrile, 3-((1,1-dimethyl-2-propynyl)oxy)-
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 15496-08-9 |
|---|---|
| SMILES | CC(C)(C#C)OCCC#N |
| InChIKey | BRMRUCOZUIVFCW-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- (CAS 15496-08-9), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 3-(2-methylbut-3-yn-2-yloxy)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-
Property Insights of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-. With a topological polar surface area (TPSA) of 33.0 Ų, Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- has 0 hydrogen bond donor(s) and 2 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 Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-?
The CAS number of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- is 15496-08-9.
What is the molecular formula of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-?
The molecular formula of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- is C8H11NO.
What is the molecular weight of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-?
The molecular weight of Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- is 137.08 g/mol.
Where can I buy Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-?
You can request a quote for Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.