2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile (CAS 160111-60-4) is a chemical compound with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile
Also Known As: BAS 00673970, J2.653.416J, 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile, 2-AMINO-4-(2H-1,3-BENZODIOXOL-5-YL)-7-HYDROXY-4H-CHROMENE-3-CARBONITRILE, 2-Amino-4-benzo[1,3]dioxol-5-yl-7-hydroxy-4H-chromene-3-carbonitrile
| Molecular Formula | C17H12N2O4 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.33908 |
| Topological Polar Surface Area | 97.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.0797 |
| Heavy Atoms | 23 |
| Complexity | 882.64746 |
Chemical Identifiers
| CAS Number | 160111-60-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C4=C(C=C(C=C4)O)OC(=C3C#N)N |
Product Overview
2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile (CAS 160111-60-4), with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile
The XLogP value of 2.33908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile. The TPSA of 97.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile has 2 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 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile is 160111-60-4.
What is the molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile is C17H12N2O4.
What is the molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile is 308.08 g/mol.
Where can I buy 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.