![Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate structure](/static/products/3329/332905-15-4.webp)
Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate
TL;DR: Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 332905-15-4) is a chemical compound with molecular formula C12H13BrN4O6 and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate
Also Known As: VU0187892-5, dimethyl 2,2'-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purine-1,7(6H)-diyl)diacetate, methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate, methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate, dimethyl 2,2'-(8-bromo-3-methyl-2,6-dioxo-3,6-dihydro-1H-purine-1,7(2H)-diyl)diacetate
| Molecular Formula | C12H13BrN4O6 |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.00186 |
| Heavy Atoms | 23 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 332905-15-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC(=O)OC |
| InChIKey | JHLJCNYFVWPQQL-UHFFFAOYSA-N |
Product Overview
Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 332905-15-4), with molecular formula C12H13BrN4O6 and molecular weight 388.00 g/mol. IUPAC: methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate
Property Insights of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate has 0 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 Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate?
The CAS number of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate is 332905-15-4.
What is the molecular formula of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular formula of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate is C12H13BrN4O6.
What is the molecular weight of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular weight of Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate is 388.00 g/mol.
Where can I buy Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate?
You can request a quote for Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-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 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.