ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
TL;DR: ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate (CAS 332388-38-2) is a chemical compound with molecular formula C15H21N5O4 and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate
Also Known As: BAS 01547056, VU0607589-1, methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate, F3259-0253, methyl [8-(1-azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
| Molecular Formula | C15H21N5O4 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | -0.0233 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.15936 |
| Heavy Atoms | 24 |
| Complexity | 870.34235 |
Chemical Identifiers
| CAS Number | 332388-38-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)OC |
Product Overview
ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate (CAS 332388-38-2), with molecular formula C15H21N5O4 and molecular weight 335.16 g/mol. IUPAC: methyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
Property Insights of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
The XLogP value of -0.0233 indicates that ME (8-(1-Azepanyl)-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 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate. Following Lipinski's Rule of Five, ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate has 1 hydrogen bond donor(s) and 6 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 ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The CAS number of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is 332388-38-2.
What is the molecular formula of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The molecular formula of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is C15H21N5O4.
What is the molecular weight of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
The molecular weight of ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate is 335.16 g/mol.
Where can I buy ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
You can request a quote for ME (8-(1-Azepanyl)-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 ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for ME (8-(1-Azepanyl)-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.