![2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile structure](/static/products/4127/41278-96-0.webp)
2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile
TL;DR: 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile (CAS 41278-96-0) is a chemical compound with molecular formula C12H6N4O3 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-methyl-5-oxopyrano[4,3-b]pyran-3,4,4-tricarbonitrile
Also Known As: 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile, J2.572.167E, 2-amino-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3,4,4-tricarbonitrile, 2-amino-7-methyl-5-oxopyrano[4,3-b]pyran-3,4,4-tricarbonitrile, 3P-723
| Molecular Formula | C12H6N4O3 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.31946 |
| Topological Polar Surface Area | 136.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.04399 |
| Heavy Atoms | 19 |
| Complexity | 769.15344 |
Chemical Identifiers
| CAS Number | 41278-96-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)O1)C(C(=C(O2)N)C#N)(C#N)C#N |
Product Overview
2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile (CAS 41278-96-0), with molecular formula C12H6N4O3 and molecular weight 254.04 g/mol. IUPAC: 2-amino-7-methyl-5-oxopyrano[4,3-b]pyran-3,4,4-tricarbonitrile.
Chemical Property Profile of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile
Property Insights of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile
The XLogP value of 0.31946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile. The TPSA of 136.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile. Following Lipinski's Rule of Five, 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile has 1 hydrogen bond donor(s) and 7 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-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile?
The CAS number of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile is 41278-96-0.
What is the molecular formula of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile?
The molecular formula of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile is C12H6N4O3.
What is the molecular weight of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile?
The molecular weight of 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile is 254.04 g/mol.
Where can I buy 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile?
You can request a quote for 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3,4,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.