Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2
TL;DR: Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 (CAS 77478-11-6) is a chemical compound with molecular formula C28H16N4O2 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(dicyanomethylidene)-11,12-dimethoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaenylidene]propanedinitrile
Also Known As: Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2
| Molecular Formula | C28H16N4O2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 3.08672 |
| Topological Polar Surface Area | 113.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.12732 |
| Heavy Atoms | 34 |
| Complexity | 1533.7819 |
Chemical Identifiers
| CAS Number | 77478-11-6 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=CC=CC=C4C(C2=C1)C5=C3C(=C(C#N)C#N)C=CC5=C(C#N)C#N)OC |
Product Overview
Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 (CAS 77478-11-6), with molecular formula C28H16N4O2 and molecular weight 440.13 g/mol. IUPAC: 2-[6-(dicyanomethylidene)-11,12-dimethoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaenylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2
Property Insights of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2
The XLogP value of 3.08672 indicates that Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2. Following Lipinski's Rule of Five, Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 has 0 hydrogen bond donor(s) and 6 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 Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2?
The CAS number of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 is 77478-11-6.
What is the molecular formula of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2?
The molecular formula of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 is C28H16N4O2.
What is the molecular weight of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2?
The molecular weight of Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 is 440.13 g/mol.
Where can I buy Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2?
You can request a quote for Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2,2'-(9,10-dihydro-6,7-dimethoxy-9,10[1',2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.