![2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile structure](/static/products/6253/625376-13-8.webp)
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
TL;DR: 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile (CAS 625376-13-8) is a chemical compound with molecular formula C18H15N3O8 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
Also Known As: 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile, A3350/0142176, 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
| Molecular Formula | C18H15N3O8 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 1.27568 |
| Topological Polar Surface Area | 171.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0859 |
| Heavy Atoms | 29 |
| Complexity | 1129.1469 |
Chemical Identifiers
| CAS Number | 625376-13-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)[N+](=O)[O-])OC |
Product Overview
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile (CAS 625376-13-8), with molecular formula C18H15N3O8 and molecular weight 401.09 g/mol. IUPAC: 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Property Insights of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
The XLogP value of 1.27568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile. The TPSA of 171.08 Ų indicates high polarity, suggesting 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile has 2 hydrogen bond donor(s) and 10 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-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The CAS number of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is 625376-13-8.
What is the molecular formula of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is C18H15N3O8.
What is the molecular weight of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is 401.09 g/mol.
Where can I buy 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
You can request a quote for 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-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-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.