ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
TL;DR: ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate (CAS 331235-51-9) is a chemical compound with molecular formula C14H19N5O5 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate
Also Known As: BAS 00340080, ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate, ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, ethyl 2-[3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate, (3-Methyl-8-morpholin-4-yl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid
| Molecular Formula | C14H19N5O5 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1386 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 331235-51-9 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C |
| InChIKey | AWYHIRFKAYAAEU-UHFFFAOYSA-N |
Product Overview
ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate (CAS 331235-51-9), with molecular formula C14H19N5O5 and molecular weight 337.14 g/mol. IUPAC: ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
Property Insights of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
The XLogP value of -0.1 indicates that ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate has 1 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 ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The CAS number of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is 331235-51-9.
What is the molecular formula of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The molecular formula of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is C14H19N5O5.
What is the molecular weight of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The molecular weight of ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is 337.14 g/mol.
Where can I buy ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
You can request a quote for ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.