![2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile structure](/static/products/141/141099-75-4.png)
2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
TL;DR: 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile (CAS 141099-75-4) is a chemical compound with molecular formula C14H7BrN2O2 and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
Also Known As: 2-[2-bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile, 2-(2-bromo-1-(2-oxo-2H-chromen-3-yl)ethylidene)malononitrile
| Molecular Formula | C14H7BrN2O2 |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 2.98866 |
| Topological Polar Surface Area | 77.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.9691 |
| Heavy Atoms | 19 |
| Complexity | 790.5314 |
Chemical Identifiers
| CAS Number | 141099-75-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=C(C#N)C#N)CBr |
Product Overview
2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile (CAS 141099-75-4), with molecular formula C14H7BrN2O2 and molecular weight 313.97 g/mol. IUPAC: 2-[2-bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile.
Chemical Property Profile of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
Property Insights of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
The XLogP value of 2.98866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile. The TPSA of 77.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile has 0 hydrogen bond donor(s) and 4 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-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile?
The CAS number of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile is 141099-75-4.
What is the molecular formula of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile?
The molecular formula of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile is C14H7BrN2O2.
What is the molecular weight of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile?
The molecular weight of 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile is 313.97 g/mol.
Where can I buy 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile?
You can request a quote for 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.