![N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide structure](/static/products/1269/126940-54-3.webp)
N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide
TL;DR: N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide (CAS 126940-54-3) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide
Also Known As: N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide, 4E-902, N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide, n-(1,3-Dimethyl-2,4,7-trioxo-1,3,4,7-tetrahydro-2h-pyrano[2,3-d]pyrimidin-6-yl)benzamide, N-(1,3-dimethyl-2,4,7-trioxo-1,3,4,7-tetrahydro-2H-pyrano[2,3-d]pyrimidin-6-yl)benzenecarboxamide
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 0.4427 |
| Topological Polar Surface Area | 103.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 1122.6337 |
Chemical Identifiers
| CAS Number | 126940-54-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3)C(=O)N(C1=O)C |
Product Overview
N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide (CAS 126940-54-3), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide.
Chemical Property Profile of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide
Property Insights of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide
The XLogP value of 0.4427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide. The TPSA of 103.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide. Following Lipinski's Rule of Five, N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide 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 N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide?
The CAS number of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide is 126940-54-3.
What is the molecular formula of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide?
The molecular formula of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide is C16H13N3O5.
What is the molecular weight of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide?
The molecular weight of N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide is 327.09 g/mol.
Where can I buy N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide?
You can request a quote for N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.