Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
TL;DR: Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate (CAS 332388-35-9) is a chemical compound with molecular formula C9H9BrN4O4 and molecular weight 315.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate
Also Known As: BAS 01547052, UPCMLD0ENAT5836680:001, methyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate, VU0607587-1, AB01303432-01
| Molecular Formula | C9H9BrN4O4 |
|---|---|
| Molecular Weight | 315.98 g/mol |
| LogP | -0.6412 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.9807 |
| Heavy Atoms | 18 |
| Complexity | 741.3312 |
Chemical Identifiers
| CAS Number | 332388-35-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)OC |
Product Overview
Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate (CAS 332388-35-9), with molecular formula C9H9BrN4O4 and molecular weight 315.98 g/mol. IUPAC: methyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
Property Insights of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
The XLogP value of -0.6412 indicates that Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate. Following Lipinski's Rule of Five, Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate 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 Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The CAS number of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is 332388-35-9.
What is the molecular formula of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The molecular formula of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is C9H9BrN4O4.
What is the molecular weight of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The molecular weight of Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is 315.98 g/mol.
Where can I buy Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
You can request a quote for Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.