Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
TL;DR: Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate (CAS 346638-16-2) is a chemical compound with molecular formula C11H13ClN4O4 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Also Known As: ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate, A2373/0100347, ETHYL 2-(8-CHLORO-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)ACETATE, ethyl (8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
| Molecular Formula | C11H13ClN4O4 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06253 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 346638-16-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C |
| InChIKey | JZZKOLZPXLCWMA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate (CAS 346638-16-2), with molecular formula C11H13ClN4O4 and molecular weight 300.06 g/mol. IUPAC: ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Property Insights of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate has 0 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 Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The CAS number of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is 346638-16-2.
What is the molecular formula of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The molecular formula of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is C11H13ClN4O4.
What is the molecular weight of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The molecular weight of Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is 300.06 g/mol.
Where can I buy Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
You can request a quote for Ethyl 2-(8-chloro-1,3-dimethyl-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 Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.