2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 1024209-91-3) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 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-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-benzo[1,3]dioxol-5-yl-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-Amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-7-methyl-5-oxo-4H-1-benzopyran-3-carbonitrile
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.47608 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 847.065 |
Chemical Identifiers
| CAS Number | 1024209-91-3 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1 |
Product Overview
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 1024209-91-3), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 2.47608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 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-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 1024209-91-3.
What is the molecular formula of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C18H16N2O4.
What is the molecular weight of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 324.11 g/mol.
Where can I buy 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-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-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.