ethyl 4-(6-amino-9H-purin-9-yl)butanoate
TL;DR: ethyl 4-(6-amino-9H-purin-9-yl)butanoate (CAS 41785-06-2) is a chemical compound with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-aminopurin-9-yl)butanoate
Also Known As: ethyl 4-(6-amino-9H-purin-9-yl)butanoate, ethyl 4-(6-aminopurin-9-yl)butanoate, 6-Amino-9H-purine-9-butanoic acid ethyl ester, 9H-purine-9-butanoic acid, 6-amino-, ethyl ester, InChI=1/C11H15N5O2/c1-2-18-8(17)4-3-5-16-7-15-9-10(12)13-6-14-11(9)16/h6-7H,2-5H2,1H3,(H2,12,13,14
| Molecular Formula | C11H15N5O2 |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.12257 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 41785-06-2 |
|---|---|
| SMILES | CCOC(=O)CCCN1C=NC2=C(N=CN=C21)N |
| InChIKey | BBQXFCPWMMOYFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4-(6-amino-9H-purin-9-yl)butanoate (CAS 41785-06-2), with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol. IUPAC: ethyl 4-(6-aminopurin-9-yl)butanoate.
Chemical Property Profile of ethyl 4-(6-amino-9H-purin-9-yl)butanoate
Property Insights of ethyl 4-(6-amino-9H-purin-9-yl)butanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(6-amino-9H-purin-9-yl)butanoate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(6-amino-9H-purin-9-yl)butanoate. Following Lipinski's Rule of Five, ethyl 4-(6-amino-9H-purin-9-yl)butanoate 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 ethyl 4-(6-amino-9H-purin-9-yl)butanoate?
The CAS number of ethyl 4-(6-amino-9H-purin-9-yl)butanoate is 41785-06-2.
What is the molecular formula of ethyl 4-(6-amino-9H-purin-9-yl)butanoate?
The molecular formula of ethyl 4-(6-amino-9H-purin-9-yl)butanoate is C11H15N5O2.
What is the molecular weight of ethyl 4-(6-amino-9H-purin-9-yl)butanoate?
The molecular weight of ethyl 4-(6-amino-9H-purin-9-yl)butanoate is 249.12 g/mol.
Where can I buy ethyl 4-(6-amino-9H-purin-9-yl)butanoate?
You can request a quote for ethyl 4-(6-amino-9H-purin-9-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(6-amino-9H-purin-9-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(6-amino-9H-purin-9-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.