3-辛氧基丙腈
TL;DR: 3-辛氧基丙腈 (CAS 16728-49-7) 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-辛氧基丙腈
3-octoxypropanenitrile
Also Known As: 3-Octoxypropanenitrile, 3-(octyloxy)propanenitrile, 3-(Octyloxy)propionitrile, 3-(Octyloxy)propiononitrile, 3-Octyloxypropanenitrile
| Molecular Formula | C11H21NO |
|---|---|
| Molecular Weight | 183.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 183.16231 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 16728-49-7 |
|---|---|
| SMILES | CCCCCCCCOCCC#N |
| InChIKey | JUBCYGQFVNMTIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-辛氧基丙腈 (CAS 16728-49-7), with molecular formula C11H21NO and molecular weight 183.16 g/mol. IUPAC: 3-octoxypropanenitrile.
Chemical Property Profile of 3-辛氧基丙腈
Property Insights of 3-辛氧基丙腈
The XLogP value of 3.2 indicates that 3-辛氧基丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-辛氧基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-辛氧基丙腈 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-辛氧基丙腈?
The CAS number of 3-辛氧基丙腈 is 16728-49-7.
What is the molecular formula of 3-辛氧基丙腈?
The molecular formula of 3-辛氧基丙腈 is C11H21NO.
What is the molecular weight of 3-辛氧基丙腈?
The molecular weight of 3-辛氧基丙腈 is 183.16 g/mol.
Where can I buy 3-辛氧基丙腈?
You can request a quote for 3-辛氧基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-辛氧基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-辛氧基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.