2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
TL;DR: 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile (CAS 674805-37-9) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(hydroxymethyl)-4-(3-methoxy-4-propan-2-yloxyphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
Also Known As: 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile, AM-807/41928775, 2-amino-6-(hydroxymethyl)-4-(3-methoxy-4-propan-2-yloxyphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-6-(hydroxymethyl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile, A3350/0142178
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 674805-37-9 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)OC |
| InChIKey | PVTADMTUWXIBHN-UHFFFAOYSA-N |
Product Overview
2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile (CAS 674805-37-9), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: 2-amino-6-(hydroxymethyl)-4-(3-methoxy-4-propan-2-yloxyphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.
Chemical Property Profile of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Property Insights of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile has 2 hydrogen bond donor(s) and 8 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-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The CAS number of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is 674805-37-9.
What is the molecular formula of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is C20H20N2O6.
What is the molecular weight of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile is 384.13 g/mol.
Where can I buy 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
You can request a quote for 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-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-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-6-(hydroxymethyl)-4-(4-isopropoxy-3-methoxyphenyl)-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.