2,2,7,7-tetraphenyloctanedinitrile
TL;DR: 2,2,7,7-tetraphenyloctanedinitrile (CAS 104199-10-2) is a chemical compound with molecular formula C32H28N2 and molecular weight 440.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetraphenyloctanedinitrile
Also Known As: 2,2,7,7-tetraphenyloctanedinitrile, 2,2,7,7-TETRAPHENYL-OCTANEDINITRILE, Octanedinitrile, 2,2,7,7-tetraphenyl-, 651-781-5, RefChem:854912
| Molecular Formula | C32H28N2 |
|---|---|
| Molecular Weight | 440.23 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.22525 |
| Heavy Atoms | 34 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 104199-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4 |
| InChIKey | CRFRCHLTAYEDAD-UHFFFAOYSA-N |
Product Overview
2,2,7,7-tetraphenyloctanedinitrile (CAS 104199-10-2), with molecular formula C32H28N2 and molecular weight 440.23 g/mol. IUPAC: 2,2,7,7-tetraphenyloctanedinitrile.
Chemical Property Profile of 2,2,7,7-tetraphenyloctanedinitrile
Property Insights of 2,2,7,7-tetraphenyloctanedinitrile
The XLogP value of 7.8 indicates that 2,2,7,7-tetraphenyloctanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2,7,7-tetraphenyloctanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-tetraphenyloctanedinitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,7,7-tetraphenyloctanedinitrile?
The CAS number of 2,2,7,7-tetraphenyloctanedinitrile is 104199-10-2.
What is the molecular formula of 2,2,7,7-tetraphenyloctanedinitrile?
The molecular formula of 2,2,7,7-tetraphenyloctanedinitrile is C32H28N2.
What is the molecular weight of 2,2,7,7-tetraphenyloctanedinitrile?
The molecular weight of 2,2,7,7-tetraphenyloctanedinitrile is 440.23 g/mol.
Where can I buy 2,2,7,7-tetraphenyloctanedinitrile?
You can request a quote for 2,2,7,7-tetraphenyloctanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-tetraphenyloctanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-tetraphenyloctanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.