3-((2-乙基己基)氧基)丙腈
TL;DR: 3-((2-乙基己基)氧基)丙腈 (CAS 10213-75-9) is a chemical compound with molecular formula C11H21NO and molecular weight 183.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((2-乙基己基)氧基)丙腈
3-(2-ethylhexoxy)propanenitrile
Also Known As: 3-((2-Ethylhexyl)oxy)propionitrile, 3-(2-ethylhexoxy)propanenitrile, 3-(2-Ethylhexyloxy)propionitrile, 3-(2-Ethylhexyloxy)propannitril, 3-[(2-Ethylhexyl)oxy]propanenitrile
| Molecular Formula | C11H21NO |
|---|---|
| Molecular Weight | 183.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 183.16231 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 10213-75-9 |
|---|---|
| SMILES | CCCCC(CC)COCCC#N |
| InChIKey | HXBFULVLSKAGSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-乙基己基)氧基)丙腈 (CAS 10213-75-9), with molecular formula C11H21NO and molecular weight 183.16 g/mol. IUPAC: 3-(2-ethylhexoxy)propanenitrile.
Chemical Property Profile of 3-((2-乙基己基)氧基)丙腈
Property Insights of 3-((2-乙基己基)氧基)丙腈
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-乙基己基)氧基)丙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-((2-乙基己基)氧基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-乙基己基)氧基)丙腈 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 3-((2-乙基己基)氧基)丙腈?
The CAS number of 3-((2-乙基己基)氧基)丙腈 is 10213-75-9.
What is the molecular formula of 3-((2-乙基己基)氧基)丙腈?
The molecular formula of 3-((2-乙基己基)氧基)丙腈 is C11H21NO.
What is the molecular weight of 3-((2-乙基己基)氧基)丙腈?
The molecular weight of 3-((2-乙基己基)氧基)丙腈 is 183.16 g/mol.
Where can I buy 3-((2-乙基己基)氧基)丙腈?
You can request a quote for 3-((2-乙基己基)氧基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-乙基己基)氧基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-乙基己基)氧基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.