3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile
TL;DR: 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile (CAS 66931-81-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(prop-2-ynoxymethoxy)but-2-ynoxy]propanenitrile
Also Known As: EINECS 266-521-2, 3-[4-(prop-2-ynoxymethoxy)but-2-ynoxy]propanenitrile, 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile, 3-[[4-[(2-PROPYNYLOXY)METHOXY]BUT-2-YNYL]OXY]PROPIONONITRILE, 3-[[4-[(2-Propynyloxy)methoxy]-2-butynyl]oxy]propanenitrile
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.54398 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 276.92395 |
Chemical Identifiers
| CAS Number | 66931-81-5 |
|---|---|
| SMILES | C#CCOCOCC#CCOCCC#N |
Product Overview
3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile (CAS 66931-81-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-[4-(prop-2-ynoxymethoxy)but-2-ynoxy]propanenitrile.
Chemical Property Profile of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile
Property Insights of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile
The XLogP value of 0.54398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile. With a topological polar surface area (TPSA) of 51.48 Ų, 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile has 0 hydrogen bond donor(s) and 4 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 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile?
The CAS number of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile is 66931-81-5.
What is the molecular formula of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile?
The molecular formula of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile is C11H13NO3.
What is the molecular weight of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile?
The molecular weight of 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile is 207.09 g/mol.
Where can I buy 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile?
You can request a quote for 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-((2-Propynyloxy)methoxy)but-2-ynyl)oxy)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.