1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride
TL;DR: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride (CAS 40421-16-7) is a chemical compound with molecular formula C9H9ClN4O3 and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl chloride
Also Known As: theophyllineacetyl chloride, EINECS 254-913-6, theophyllin-7-yl-acetyl chloride, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl chloride
| Molecular Formula | C9H9ClN4O3 |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | -0.8009 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03632 |
| Heavy Atoms | 17 |
| Complexity | 724.1418 |
Chemical Identifiers
| CAS Number | 40421-16-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)Cl |
Product Overview
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride (CAS 40421-16-7), with molecular formula C9H9ClN4O3 and molecular weight 256.04 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl chloride.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride
Property Insights of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride
The XLogP value of -0.8009 indicates that 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride has 0 hydrogen bond donor(s) and 4 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 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride?
The CAS number of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride is 40421-16-7.
What is the molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride?
The molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride is C9H9ClN4O3.
What is the molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride?
The molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride is 256.04 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride?
You can request a quote for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.