2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile
TL;DR: 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile (CAS 175136-96-6) is a chemical compound with molecular formula C13H6Br2N4O and molecular weight 391.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)propanedinitrile
Also Known As: Maybridge1_003705, 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile, 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)propanedinitrile, 1,5-Bis(4-nitrophenyl)carbohydrazide, J2.545.448K
| Molecular Formula | C13H6Br2N4O |
|---|---|
| Molecular Weight | 391.89 g/mol |
| LogP | 3.04484 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.89084 |
| Heavy Atoms | 20 |
| Complexity | 722.45386 |
Chemical Identifiers
| CAS Number | 175136-96-6 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(C(=C(O2)N)C#N)C(C#N)C#N)Br)Br |
Product Overview
2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile (CAS 175136-96-6), with molecular formula C13H6Br2N4O and molecular weight 391.89 g/mol. IUPAC: 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)propanedinitrile.
Chemical Property Profile of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile
Property Insights of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile
The XLogP value of 3.04484 indicates that 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile. Following Lipinski's Rule of Five, 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile has 1 hydrogen bond donor(s) and 5 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-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile?
The CAS number of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile is 175136-96-6.
What is the molecular formula of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile?
The molecular formula of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile is C13H6Br2N4O.
What is the molecular weight of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile?
The molecular weight of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile is 391.89 g/mol.
Where can I buy 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile?
You can request a quote for 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.