![2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate structure](/static/products/5137/51379-07-8.webp)
2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
TL;DR: 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate (CAS 51379-07-8) is a chemical compound with molecular formula C13H14ClN5O3 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(6-chloropurin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
Also Known As: Cyclopropanecarboxaldehyde,2-methyl-,trans, 2-[3-(6-chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate, 2-[3-(6-chloropurin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
| Molecular Formula | C13H14ClN5O3 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07852 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 51379-07-8 |
|---|---|
| SMILES | CC(=O)OCCN1CCC(C1=O)N2C=NC3=C2N=CN=C3Cl |
| InChIKey | PQOKVRVURFCQFL-UHFFFAOYSA-N |
Product Overview
2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate (CAS 51379-07-8), with molecular formula C13H14ClN5O3 and molecular weight 323.08 g/mol. IUPAC: 2-[3-(6-chloropurin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate.
Chemical Property Profile of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
Property Insights of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate. Following Lipinski's Rule of Five, 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate has 0 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 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate?
The CAS number of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate is 51379-07-8.
What is the molecular formula of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate?
The molecular formula of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate is C13H14ClN5O3.
What is the molecular weight of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate?
The molecular weight of 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate is 323.08 g/mol.
Where can I buy 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate?
You can request a quote for 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.