1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-
TL;DR: 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- (CAS 116453-81-7) is a chemical compound with molecular formula C26H24N2O2 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(3-phenylpropoxy)benzene-1,2-dicarbonitrile
Also Known As: 3,6-Bis(3-phenylpropoxy)phthalonitrile, 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-, 3,6-Bis(3-phenylpropoxy)phthalonitrile #, 3,6-bis(3-phenylpropoxy)benzene-1,2-dicarbonitrile, AE-842/34029062
| Molecular Formula | C26H24N2O2 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.18378 |
| Heavy Atoms | 30 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 116453-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC2=C(C(=C(C=C2)OCCCC3=CC=CC=C3)C#N)C#N |
| InChIKey | UXPLFPWOBQFNCQ-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- (CAS 116453-81-7), with molecular formula C26H24N2O2 and molecular weight 396.18 g/mol. IUPAC: 3,6-bis(3-phenylpropoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-
Property Insights of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-
The XLogP value of 5.9 indicates that 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-. Following Lipinski's Rule of Five, 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-?
The CAS number of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- is 116453-81-7.
What is the molecular formula of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-?
The molecular formula of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- is C26H24N2O2.
What is the molecular weight of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-?
The molecular weight of 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- is 396.18 g/mol.
Where can I buy 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-?
You can request a quote for 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarbonitrile, 3,6-bis(3-phenylpropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.