3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile
TL;DR: 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile (CAS 68391-48-0) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[N-[2-(2-cyanoethoxy)ethyl]anilino]ethoxy]propanenitrile
Also Known As: Propanenitrile, 3,3'-[(phenylimino)bis(2,1-ethanediyloxy)]bis-, Propanenitrile, 3,3'-((phenylimino)bis(2,1-ethanediyloxy))bis-, 3,3'-[(phenylimino)bis(ethane-2,1-diyloxy)]dipropanenitrile, 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile, 3,3'-[(phenylimino)bis(ethane-2,1-diyloxy)]bispropiononitrile
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 68391-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCOCCC#N)CCOCCC#N |
| InChIKey | LHIVWGDROKTSST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile (CAS 68391-48-0), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 3-[2-[N-[2-(2-cyanoethoxy)ethyl]anilino]ethoxy]propanenitrile.
Chemical Property Profile of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile
Property Insights of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile. Following Lipinski's Rule of Five, 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile has 0 hydrogen bond donor(s) and 5 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 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile?
The CAS number of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile is 68391-48-0.
What is the molecular formula of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile?
The molecular formula of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile is C16H21N3O2.
What is the molecular weight of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile?
The molecular weight of 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile is 287.16 g/mol.
Where can I buy 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile?
You can request a quote for 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((Phenylimino)bis(ethane-2,1-diyloxy))bispropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.