(2.2)-Paracyclophane, 2,5-dicyano-
TL;DR: (2.2)-Paracyclophane, 2,5-dicyano- (CAS 61135-78-2) is a chemical compound with molecular formula C18H14N2 and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,15-dicarbonitrile
Also Known As: (2.2)-Paracyclophane, 2,5-dicyano-, [2.2]-Paracyclophane, 2,5-dicyano-, 1,4(1,4)-Dibenzenacyclohexaphane-1~2~,1~5~-dicarbonitrile
| Molecular Formula | C18H14N2 |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.1157 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 61135-78-2 |
|---|---|
| SMILES | C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2C#N)C#N |
| InChIKey | YEKAUGIIMJTNQL-UHFFFAOYSA-N |
Product Overview
(2.2)-Paracyclophane, 2,5-dicyano- (CAS 61135-78-2), with molecular formula C18H14N2 and molecular weight 258.12 g/mol. IUPAC: tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,15-dicarbonitrile.
Chemical Property Profile of (2.2)-Paracyclophane, 2,5-dicyano-
Property Insights of (2.2)-Paracyclophane, 2,5-dicyano-
The XLogP value of 3.9 indicates that (2.2)-Paracyclophane, 2,5-dicyano- 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)-Paracyclophane, 2,5-dicyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2.2)-Paracyclophane, 2,5-dicyano- has 0 hydrogen bond donor(s) and 2 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 (2.2)-Paracyclophane, 2,5-dicyano-?
The CAS number of (2.2)-Paracyclophane, 2,5-dicyano- is 61135-78-2.
What is the molecular formula of (2.2)-Paracyclophane, 2,5-dicyano-?
The molecular formula of (2.2)-Paracyclophane, 2,5-dicyano- is C18H14N2.
What is the molecular weight of (2.2)-Paracyclophane, 2,5-dicyano-?
The molecular weight of (2.2)-Paracyclophane, 2,5-dicyano- is 258.12 g/mol.
Where can I buy (2.2)-Paracyclophane, 2,5-dicyano-?
You can request a quote for (2.2)-Paracyclophane, 2,5-dicyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2.2)-Paracyclophane, 2,5-dicyano-?
Yes, KEHONG BIO provides custom synthesis services for (2.2)-Paracyclophane, 2,5-dicyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.