3-(己氧基)丙腈
TL;DR: 3-(己氧基)丙腈 (CAS 5327-02-6) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(己氧基)丙腈
3-hexoxypropanenitrile
Also Known As: 3-hexoxypropanenitrile, 2-Cyanoethyl hexyl ether, 3-(Hexyloxy)propanenitrile, 3-(Hexyloxy)propiononitrile, 3-Hexyloxypropiononitrile
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 5327-02-6 |
|---|---|
| SMILES | CCCCCCOCCC#N |
| InChIKey | CVGVUZQHVVQSRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(己氧基)丙腈 (CAS 5327-02-6), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 3-hexoxypropanenitrile.
Chemical Property Profile of 3-(己氧基)丙腈
Property Insights of 3-(己氧基)丙腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(己氧基)丙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(己氧基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(己氧基)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-(己氧基)丙腈?
The CAS number of 3-(己氧基)丙腈 is 5327-02-6.
What is the molecular formula of 3-(己氧基)丙腈?
The molecular formula of 3-(己氧基)丙腈 is C9H17NO.
What is the molecular weight of 3-(己氧基)丙腈?
The molecular weight of 3-(己氧基)丙腈 is 155.13 g/mol.
Where can I buy 3-(己氧基)丙腈?
You can request a quote for 3-(己氧基)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-(己氧基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(己氧基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.