ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
TL;DR: ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate (CAS 7154-41-8) is a chemical compound with molecular formula C12H16N6O3 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
Also Known As: ethyl (1E)-N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate, ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
| Molecular Formula | C12H16N6O3 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.1284 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 7154-41-8 |
|---|---|
| SMILES | CCOC(=NC(=O)NN1C(=NC2=C1N=CN=C2OC)C)C |
| InChIKey | SRLUPKXFRWNAFG-UHFFFAOYSA-N |
Product Overview
ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate (CAS 7154-41-8), with molecular formula C12H16N6O3 and molecular weight 292.13 g/mol. IUPAC: ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate.
Chemical Property Profile of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
Property Insights of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate. Following Lipinski's Rule of Five, ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate 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 N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate?
The CAS number of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate is 7154-41-8.
What is the molecular formula of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate?
The molecular formula of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate is C12H16N6O3.
What is the molecular weight of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate?
The molecular weight of ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate is 292.13 g/mol.
Where can I buy ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate?
You can request a quote for ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.