Bis(4-cyanobutyl) ether
TL;DR: Bis(4-cyanobutyl) ether (CAS 75903-25-2) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-cyanobutoxy)pentanenitrile
Also Known As: 5,5'-oxydipentanenitrile, 5,5'-Oxybis, Pentanenitrile, 5,5'-oxybis-, Pentanenitrile,5'-oxybis-, 5,5 -Oxybisvaleronitrile
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 75903-25-2 |
|---|---|
| SMILES | C(CCOCCCCC#N)CC#N |
| InChIKey | SZJIJFGCCHVXPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-cyanobutyl) ether (CAS 75903-25-2), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 5-(4-cyanobutoxy)pentanenitrile.
Chemical Property Profile of Bis(4-cyanobutyl) ether
Property Insights of Bis(4-cyanobutyl) ether
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-cyanobutyl) ether. With a topological polar surface area (TPSA) of 56.8 Ų, Bis(4-cyanobutyl) ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(4-cyanobutyl) ether has 0 hydrogen bond donor(s) and 3 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 Bis(4-cyanobutyl) ether?
The CAS number of Bis(4-cyanobutyl) ether is 75903-25-2.
What is the molecular formula of Bis(4-cyanobutyl) ether?
The molecular formula of Bis(4-cyanobutyl) ether is C10H16N2O.
What is the molecular weight of Bis(4-cyanobutyl) ether?
The molecular weight of Bis(4-cyanobutyl) ether is 180.13 g/mol.
Where can I buy Bis(4-cyanobutyl) ether?
You can request a quote for Bis(4-cyanobutyl) ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-cyanobutyl) ether?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-cyanobutyl) ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.