2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
TL;DR: 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 311326-52-0) is a chemical compound with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00747045, 2-amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile, AB00079034-01, AB00079034-03, 2-amino-5-oxo-7-phenyl-4-thien-3-yl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C20H16N2O2S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.95658 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.09326 |
| Heavy Atoms | 25 |
| Complexity | 920.3607 |
Chemical Identifiers
| CAS Number | 311326-52-0 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CSC=C3)C#N)N)C4=CC=CC=C4 |
Product Overview
2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 311326-52-0), with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol. IUPAC: 2-amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Property Insights of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
The XLogP value of 3.95658 indicates that 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile 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-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The CAS number of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is 311326-52-0.
What is the molecular formula of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular formula of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is C20H16N2O2S.
What is the molecular weight of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular weight of 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is 348.09 g/mol.
Where can I buy 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
You can request a quote for 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-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-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.