![7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile structure](/static/products/299/299202-87-2.png)
7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile
TL;DR: 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 299202-87-2) is a chemical compound with molecular formula C17H16N4O6 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-2,4-dihydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C17H16N4O6 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 0.30718 |
| Topological Polar Surface Area | 152.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.107 |
| Heavy Atoms | 27 |
| Complexity | 1066.8184 |
Chemical Identifiers
| CAS Number | 299202-87-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N |
Product Overview
7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 299202-87-2), with molecular formula C17H16N4O6 and molecular weight 372.11 g/mol. IUPAC: 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Property Insights of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile
The XLogP value of 0.30718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile. The TPSA of 152.45 Ų indicates high polarity, suggesting 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile has 3 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 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The CAS number of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile is 299202-87-2.
What is the molecular formula of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular formula of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile is C17H16N4O6.
What is the molecular weight of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular weight of 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile is 372.11 g/mol.
Where can I buy 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
You can request a quote for 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-amino-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.