9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione
TL;DR: 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione (CAS 88375-92-2) is a chemical compound with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione, 9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione, 9-(4-bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, 9-(4-bromo-6-methyl-3-oxo-6H-pyran-2-yl)-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C13H13BrN4O4 |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.01202 |
| Heavy Atoms | 22 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 88375-92-2 |
|---|---|
| SMILES | CC1C=C(C(=O)C(O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br |
| InChIKey | YRHNWQFYEBZVGE-UHFFFAOYSA-N |
Product Overview
9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione (CAS 88375-92-2), with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol. IUPAC: 9-(4-bromo-2-methyl-5-oxo-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione
Property Insights of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione. Following Lipinski's Rule of Five, 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione has 0 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 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione?
The CAS number of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione is 88375-92-2.
What is the molecular formula of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione?
The molecular formula of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione is C13H13BrN4O4.
What is the molecular weight of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione?
The molecular weight of 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione is 368.01 g/mol.
Where can I buy 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione?
You can request a quote for 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.