2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 332050-53-0) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-methylpropyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: IFLab1_000741, BAS 00865803, AE-848/11419254, 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(2-methylpropyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 332050-53-0 |
|---|---|
| SMILES | CC(C)CC1C(=C(OC2=C1C(=O)CC(C2)C3=CC=CC=C3)N)C#N |
| InChIKey | KBALFCXSMKSFRZ-UHFFFAOYSA-N |
Product Overview
2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 332050-53-0), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 2-amino-4-(2-methylpropyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 3.6 indicates that 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 332050-53-0.
What is the molecular formula of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C20H22N2O2.
What is the molecular weight of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 322.17 g/mol.
Where can I buy 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-Amino-4-isobutyl-5-oxo-7-phenyl-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-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.