![2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile structure](/static/products/4000/400089-38-5.webp)
2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile
TL;DR: 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile (CAS 400089-38-5) is a chemical compound with molecular formula C31H29N5O2 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(cyano-morpholin-4-yl-phenylmethyl)benzonitrile
Also Known As: 2,6-bis[cyano(morpholin-4-yl)phenylmethyl]benzonitrile, 2,6-bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile, 2,6-bis(cyano-morpholin-4-yl-phenylmethyl)benzonitrile, 9K-028, 2,6-bis(cyano-morpholin-4-yl-phenyl-methyl)benzonitrile
| Molecular Formula | C31H29N5O2 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 3.75704 |
| Topological Polar Surface Area | 96.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.23212 |
| Heavy Atoms | 38 |
| Complexity | 1282.0026 |
Chemical Identifiers
| CAS Number | 400089-38-5 |
|---|---|
| SMILES | C1COCCN1C(C#N)(C2=CC=CC=C2)C3=C(C(=CC=C3)C(C#N)(C4=CC=CC=C4)N5CCOCC5)C#N |
Product Overview
2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile (CAS 400089-38-5), with molecular formula C31H29N5O2 and molecular weight 503.23 g/mol. IUPAC: 2,6-bis(cyano-morpholin-4-yl-phenylmethyl)benzonitrile.
Chemical Property Profile of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile
Property Insights of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile
The XLogP value of 3.75704 indicates that 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile. Following Lipinski's Rule of Five, 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile?
The CAS number of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile is 400089-38-5.
What is the molecular formula of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile?
The molecular formula of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile is C31H29N5O2.
What is the molecular weight of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile?
The molecular weight of 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile is 503.23 g/mol.
Where can I buy 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile?
You can request a quote for 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis[cyano(morpholino)phenylmethyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.