Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-
TL;DR: Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- (CAS 675573-59-8) is a chemical compound with molecular formula C13H7BrN4O and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-6-bromo-3-cyano-4H-chromen-4-yl)propanedinitrile
Also Known As: Maybridge1_004011, Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-, 2-(2-amino-6-bromo-3-cyano-4H-chromen-4-yl)propanedinitrile, J2.373.979H, 2-Amino-3-cyano-6-bromo-4H-1-benzopyran-4-ylmalononitrile
| Molecular Formula | C13H7BrN4O |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 2.28234 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.98032 |
| Heavy Atoms | 19 |
| Complexity | 676.0655 |
Chemical Identifiers
| CAS Number | 675573-59-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(C(=C(O2)N)C#N)C(C#N)C#N |
Product Overview
Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- (CAS 675573-59-8), with molecular formula C13H7BrN4O and molecular weight 313.98 g/mol. IUPAC: 2-(2-amino-6-bromo-3-cyano-4H-chromen-4-yl)propanedinitrile.
Chemical Property Profile of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-
Property Insights of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-
The XLogP value of 2.28234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-. Following Lipinski's Rule of Five, Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- 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 Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-?
The CAS number of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- is 675573-59-8.
What is the molecular formula of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-?
The molecular formula of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- is C13H7BrN4O.
What is the molecular weight of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-?
The molecular weight of Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- is 313.98 g/mol.
Where can I buy Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-?
You can request a quote for Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (2-amino-6-bromo-3-cyano-4H-1-benzopyran-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.