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2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
TL;DR: 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile (CAS 332161-89-4) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-4-pentan-3-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: BAS 01235309, BIM-0037685.P001, AE-848/11828160, 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, F0421-0034
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.39908 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 885.2553 |
Chemical Identifiers
| CAS Number | 332161-89-4 |
|---|---|
| SMILES | CCC(CC)C1C(=C(OC2=C1C(=O)OC3=CC=CC=C32)N)C#N |
Product Overview
2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile (CAS 332161-89-4), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 2-amino-5-oxo-4-pentan-3-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Property Insights of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
The XLogP value of 3.39908 indicates that 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-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-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile?
The CAS number of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile is 332161-89-4.
What is the molecular formula of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile?
The molecular formula of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile is C18H18N2O3.
What is the molecular weight of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile?
The molecular weight of 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile is 310.13 g/mol.
Where can I buy 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile?
You can request a quote for 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]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-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.